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2103-91-5 molecular structure
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4-(4-methylphenyl)-1,3-thiazol-2-amine

ChemBase ID: 25245
Molecular Formular: C10H10N2S
Molecular Mass: 190.2648
Monoisotopic Mass: 190.05646933
SMILES and InChIs

SMILES:
n1c(scc1c1ccc(cc1)C)N
Canonical SMILES:
Cc1ccc(cc1)c1csc(n1)N
InChI:
InChI=1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey:
ARLHWYFAPHJCJT-UHFFFAOYSA-N

Cite this record

CBID:25245 http://www.chembase.cn/molecule-25245.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-methylphenyl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(4-methylphenyl)-1,3-thiazol-2-amine
Synonyms
4-(4-Methylphenyl)-2-thiazolamine
2-Amino-4-(p-tolyl)thiazole
4-(4-Methylphenyl)-1,3-thiazol-2-amine
2-Amino-4-(4-methylphenyl)-1,3-thiazole
4-(4-Methylphenyl)-1,3-thiazol-2-amine
4-p-Tolyl-thiazol-2-ylamine hydrobromide
4-p-Tolyl-thiazol-2-ylamine
4-(4-甲基苯基)-2-噻唑胺
2-氨基-4-(对甲苯基)噻唑
CAS Number
2103-91-5
24966-91-4
MDL Number
MFCD01230891
MFCD00170264
Beilstein Number
143563
PubChem SID
160988552
24878020
PubChem CID
244066

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  Acid pKa 16.707079 
H Acceptors H Donor
LogD (pH = 5.5) 3.0182672  LogD (pH = 7.4) 3.0336597 
Log P 3.0338597  Molar Refractivity 55.2455 cm3
Polarizability 21.957148 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132-136 °C(lit.) expand Show data source
134-138°C expand Show data source
136 - 138°C expand Show data source
Partition Coefficient
2.386 expand Show data source
Hydrophobicity(logP)
2.826 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
26-36/37 expand Show data source
36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H311-H332 expand Show data source
H302-H312-H332 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-P302+P352-P405-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
98% expand Show data source
Salt Data
HBr expand Show data source
Empirical Formula (Hill Notation)
C10H10N2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 534161 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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