Chembase list of 866358 unique molecular structures

4-(isothiocyanatomethyl)-1,2-dimethoxybenzene

$$$$ Data

M. F.

C10H11NO2S

Suppliers	Catalog Number
Matrix Scientific	056711

Database	Data ID
PubChem	2758400

M. W.

209.26484

CAS

14596-50-0

Similarity

N/A

ID: 52102

2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene

$$$$ Data

M. F.

C11H13NO2S

Suppliers	Catalog Number
Matrix Scientific	056713

Database	Data ID
PubChem	592030

M. W.

223.29142

CAS

56771-74-5

Similarity

N/A

ID: 52103

4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

$$$$ Data

M. F.

C11H13NO2S

Suppliers	Catalog Number
Alfa Aesar	L11817
Matrix Scientific	056714

Database	Data ID
PubChem	140856

M. W.

223.29142

CAS

21714-25-0

Similarity

N/A

ID: 52104

3-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

$$$$ Data

M. F.

C11H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	056715

Database	Data ID
PubChem	708468

M. W.

255.33658

CAS

53068-24-9

Similarity

N/A

ID: 52105

(2,4-dimethoxyphenyl)thiourea

$$$$ Data More

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Alfa Aesar	L09646
Matrix Scientific	056716
Life Chemicals	F2158-0361

Database	Data ID
PubChem	2758482

M. W.

212.26878

CAS

35696-77-6

Similarity

N/A

ID: 52106

[4-(dimethylamino)phenyl]thiourea

$$$$ Data

M. F.

C9H13N3S

Suppliers	Catalog Number
Matrix Scientific	056717

Database	Data ID
PubChem	2758514

M. W.

195.28462

CAS

22283-43-8

Similarity

N/A

ID: 52107

bis(4-methylphenyl)methanol

$$$$ Data

M. F.

C15H16O

Suppliers	Catalog Number
Alfa Aesar	L05904
Matrix Scientific	056718

Database	Data ID
PubChem	279356

M. W.

212.28694

CAS

885-77-8

Similarity

N/A

ID: 52108

1,4-dimethyl (2S)-2-isothiocyanatobutanedioate

$$$$ Data

M. F.

C7H9NO4S

Suppliers	Catalog Number
Matrix Scientific	056719

Database	Data ID
PubChem	2758569

M. W.

203.21566

CAS

121928-38-9

Similarity

N/A

ID: 52109

(2,4-dimethylphenyl)urea

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Alfa Aesar	B25668
Matrix Scientific	056720
Enamine	EN300-10145

Database	Data ID
PubChem	853638

M. W.

164.20438

CAS

2990-02-5

Similarity

N/A

ID: 52110

2-(4-hydroxy-3,5-dinitrophenyl)acetic acid

$$$$ Data

M. F.

C8H6N2O7

Suppliers	Catalog Number
MP Biomedicals	05210994
Alfa Aesar	L11643
Matrix Scientific	056721

Database	Data ID
PubChem	98596

M. W.

242.14244

CAS

10463-37-3

Similarity

N/A

ID: 52111

3-dodecyl-1-phenylthiourea

$$$$ Data

M. F.

C19H32N2S

Suppliers	Catalog Number
Matrix Scientific	056722

Database	Data ID
PubChem	2758732

M. W.

320.53578

CAS

63980-78-9

Similarity

N/A

ID: 52112

4-ethoxybenzonitrile

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Alfa Aesar	A19806
Matrix Scientific	056723

Database	Data ID
PubChem	141176

M. W.

147.17386

CAS

25117-74-2

Similarity

N/A

ID: 52113

ethyl 4-[(aminocarbamothioyl)amino]benzoate

$$$$ Data

M. F.

C10H13N3O2S

Suppliers	Catalog Number
Matrix Scientific	056724

Database	Data ID
PubChem	2823865

M. W.

239.29412

CAS

70619-50-0

Similarity

N/A

ID: 52114

ethyl 3-(carbamothioylamino)benzoate

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	056725

Database	Data ID
PubChem	2758743

M. W.

224.27948

CAS

20967-87-7

Similarity

N/A

ID: 52115

ethyl 4-(carbamothioylamino)benzoate

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	056726

Database	Data ID
PubChem	2808848

M. W.

224.27948

CAS

23051-16-3

Similarity

N/A

ID: 52116

(2-ethoxyphenyl)thiourea

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Matrix Scientific	056727

Database	Data ID
PubChem	2758773

M. W.

196.26938

CAS

1516-38-7

Similarity

N/A

ID: 52117

(4-ethoxyphenyl)thiourea

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Matrix Scientific	056728
Enamine	EN300-08539
A&J Pharmtech	AJA-O6168

Database	Data ID
PubChem	853569

M. W.

196.26938

CAS

880-29-5

Similarity

N/A

ID: 52118

3-amino-1-(2-ethylphenyl)thiourea

$$$$ Data

M. F.

C9H13N3S

Suppliers	Catalog Number
Matrix Scientific	056729
Enamine	EN300-14931

Database	Data ID
PubChem	2758894

M. W.

195.28462

CAS

16667-04-2

Similarity

N/A

ID: 52119

(2-ethylphenyl)thiourea

$$$$ Data

M. F.

C9H12N2S

Suppliers	Catalog Number
Matrix Scientific	056730
Enamine	EN300-28853

Database	Data ID
PubChem	2758895

M. W.

180.26998

CAS

22265-77-6

Similarity

N/A

ID: 52120

(4-ethylphenyl)thiourea

$$$$ Data

M. F.

C9H12N2S

Suppliers	Catalog Number
Matrix Scientific	056731
Enamine	EN300-28846

Database	Data ID
PubChem	2758896

M. W.

180.26998

CAS

22265-78-7

Similarity

N/A

ID: 52121

3-amino-1-(furan-2-ylmethyl)thiourea

$$$$ Data

M. F.

C6H9N3OS

Suppliers	Catalog Number
Matrix Scientific	056733
Apollo Scientific	OR29943
Enamine	EN300-09092

Database	Data ID
PubChem	722972

M. W.

171.22016

CAS

96860-19-4

Similarity

N/A

ID: 52122

(furan-2-ylmethyl)thiourea

$$$$ Data

M. F.

C6H8N2OS

Suppliers	Catalog Number
Matrix Scientific	056734

Database	Data ID
PubChem	717699

M. W.

156.20552

CAS

56541-07-2

Similarity

N/A

ID: 52123

3-heptyl-1-phenylthiourea

$$$$ Data

M. F.

C14H22N2S

Suppliers	Catalog Number
Matrix Scientific	056735

Database	Data ID
PubChem	2759262

M. W.

250.40288

CAS

79425-04-0

Similarity

N/A

ID: 52124

heptylthiourea

$$$$ Data

M. F.

C8H18N2S

Suppliers	Catalog Number
Matrix Scientific	056736

Database	Data ID
PubChem	2759263

M. W.

174.30692

CAS

3098-03-1

Similarity

N/A

ID: 52125

3-hexyl-1-phenylthiourea

$$$$ Data

M. F.

C13H20N2S

Suppliers	Catalog Number
Matrix Scientific	056737

Database	Data ID
PubChem	2759282

M. W.

236.3763

CAS

15153-13-6

Similarity

N/A

ID: 52126

1-amino-3-hexylthiourea

$$$$ Data

M. F.

C7H17N3S

Suppliers	Catalog Number
Matrix Scientific	056738

Database	Data ID
PubChem	2759283

M. W.

175.29498

CAS

53347-40-3

Similarity

N/A

ID: 52127

3-hydroxy-N-phenylbenzamide

$$$$ Data

M. F.

C13H11NO2

Suppliers	Catalog Number
Matrix Scientific	056739
Enamine	EN300-59827

Database	Data ID
PubChem	3389917

M. W.

213.23194

CAS

3743-28-0

Similarity

N/A

ID: 52128

3-(2-hydroxyphenyl)propanoic acid

$$$$ Data More

M. F.

C9H10O3

Suppliers	Catalog Number
Sigma Aldrich	393533
Alfa Aesar	A14195
Matrix Scientific	056740

Database	Data ID
PubChem	873

M. W.

166.1739

CAS

495-78-3

Similarity

N/A

ID: 52129

(3-hydroxyphenyl)thiourea

$$$$ Data

M. F.

C7H8N2OS

Suppliers	Catalog Number
Alfa Aesar	L09975
Matrix Scientific	056741

Database	Data ID
PubChem	2759330

M. W.

168.21622

CAS

3394-05-6

Similarity

N/A

ID: 52130

1-(bromomethyl)-3-iodobenzene

$$$$ Data More

M. F.

C7H6BrI

Suppliers	Catalog Number
Sigma Aldrich	427691
Alfa Aesar	A11140
Matrix Scientific	056742

Database	Data ID
PubChem	2759361

M. W.

296.93101

CAS

49617-83-6

Similarity

N/A

ID: 52131

1-(bromomethyl)-4-iodobenzene

$$$$ Data More

M. F.

C7H6BrI

Suppliers	Catalog Number
Sigma Aldrich	515604
Alfa Aesar	A18200
Matrix Scientific	056743

Database	Data ID
PubChem	954258

M. W.

296.93101

CAS

16004-15-2

Similarity

N/A

ID: 52132

(4-iodophenyl)thiourea

$$$$ Data

M. F.

C7H7IN2S

Suppliers	Catalog Number
Matrix Scientific	056744

Database	Data ID
PubChem	963388

M. W.

278.11335

CAS

18879-80-6

Similarity

N/A

ID: 52133

[4-(propan-2-yl)phenyl]thiourea

$$$$ Data

M. F.

C10H14N2S

Suppliers	Catalog Number
Matrix Scientific	056745
Enamine	EN300-28857

Database	Data ID
PubChem	2759509

M. W.

194.29656

CAS

65259-91-8

Similarity

N/A

ID: 52134

1-amino-3-(propan-2-yl)thiourea

$$$$ Data

M. F.

C4H11N3S

Suppliers	Catalog Number
Matrix Scientific	056746

Database	Data ID
PubChem	1809376

M. W.

133.21524

CAS

13431-36-2

Similarity

N/A

ID: 52135

4-methoxybenzohydrazide

$$$$ Data More

M. F.

C8H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	558346
Alfa Aesar	A13015
Matrix Scientific	056747

Database	Data ID
PubChem	76792

M. W.

166.1772

CAS

3290-99-1

Similarity

N/A

ID: 52136

3-amino-1-[(4-methoxyphenyl)methyl]thiourea

$$$$ Data

M. F.

C9H13N3OS

Suppliers	Catalog Number
Matrix Scientific	056748

Database	Data ID
PubChem	712130

M. W.

211.28402

CAS

16735-76-5

Similarity

N/A

ID: 52137

[(3-methoxyphenyl)methyl]thiourea

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Matrix Scientific	056749

Database	Data ID
PubChem	2759541

M. W.

196.26938

CAS

90556-79-9

Similarity

N/A

ID: 52138

[(4-methoxyphenyl)methyl]thiourea

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Matrix Scientific	056750
InterBioScreen	BB_SC-7769
Enamine	EN300-28850

Database	Data ID
PubChem	766954

M. W.

196.26938

CAS

37412-64-9

Similarity

N/A

ID: 52139

(2-methoxyethyl)thiourea

$$$$ Data

M. F.

C4H10N2OS

Suppliers	Catalog Number
Matrix Scientific	056751
Enamine	EN300-05814

Database	Data ID
PubChem	1810725

M. W.

134.2

CAS

102353-42-4

Similarity

N/A

ID: 52140

3-amino-1-(2-methoxy-5-methylphenyl)thiourea

$$$$ Data

M. F.

C9H13N3OS

Suppliers	Catalog Number
Matrix Scientific	056752

Database	Data ID
PubChem	2759590

M. W.

211.28402

CAS

71058-34-9

Similarity

N/A

ID: 52141

(2-methoxy-5-nitrophenyl)thiourea

$$$$ Data

M. F.

C8H9N3O3S

Suppliers	Catalog Number
Matrix Scientific	056753

Database	Data ID
PubChem	2759603

M. W.

227.24036

CAS

159753-14-7

Similarity

N/A

ID: 52142

1-(3-methoxyphenyl)propan-2-one

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Sigma Aldrich	288810
Alfa Aesar	B20916
Matrix Scientific	056754

Database	Data ID
PubChem	76410

M. W.

164.20108

CAS

3027-13-2

Similarity

N/A

ID: 52143

3-amino-1-(2-methoxyphenyl)thiourea

$$$$ Data

M. F.

C8H11N3OS

Suppliers	Catalog Number
Matrix Scientific	056755
Apollo Scientific	OR27607

Database	Data ID
PubChem	736992

M. W.

197.25744

CAS

40207-02-1

Similarity

N/A

ID: 52144

3-amino-1-(4-methoxyphenyl)thiourea

$$$$ Data

M. F.

C8H11N3OS

Suppliers	Catalog Number
Matrix Scientific	056756
Apollo Scientific	OR28404

Database	Data ID
PubChem	737138

M. W.

197.25744

CAS

40207-03-2

Similarity

N/A

ID: 52145

(3-methoxyphenyl)thiourea

$$$$ Data

M. F.

C8H10N2OS

Suppliers	Catalog Number
Matrix Scientific	056757

Database	Data ID
PubChem	696326

M. W.

182.2428

CAS

37014-08-7

Similarity

N/A

ID: 52146

1-amino-3-(3-methoxypropyl)thiourea

$$$$ Data

M. F.

C5H13N3OS

Suppliers	Catalog Number
Matrix Scientific	056758

Database	Data ID
PubChem	1810737

M. W.

163.24122

CAS

71058-32-7

Similarity

N/A

ID: 52147

[(4-methylphenyl)methyl]thiourea

$$$$ Data

M. F.

C9H12N2S

Suppliers	Catalog Number
Matrix Scientific	056759

Database	Data ID
PubChem	1810724

M. W.

180.26998

CAS

103854-74-6

Similarity

N/A

ID: 52148

methyl 4-phenylbenzoate

$$$$ Data More

M. F.

C14H12O2

Suppliers	Catalog Number
Sigma Aldrich	P5501
MP Biomedicals	02156163
Alfa Aesar	A13430

Database	Data ID
PubChem	69757

M. W.

212.24388

CAS

720-75-2

Similarity

N/A

ID: 52149

methyl 3,4-diaminobenzoate

$$$$ Data More

M. F.

C8H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	705985
Alfa Aesar	A14656
Matrix Scientific	056761

Database	Data ID
PubChem	135524

M. W.

166.1772

CAS

36692-49-6

Similarity

N/A

ID: 52150

3-amino-1-(2H-1,3-benzodioxol-5-ylmethyl)thiourea

$$$$ Data

M. F.

C9H11N3O2S

Suppliers	Catalog Number
Matrix Scientific	056762

Database	Data ID
PubChem	1810732

M. W.

225.26754

CAS

206761-70-8

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified