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6142-15-0 molecular structure
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4-methyl-1,3-thiazol-2-amine

ChemBase ID: 52779
Molecular Formular: C4H6N2S
Molecular Mass: 114.16884
Monoisotopic Mass: 114.0251692
SMILES and InChIs

SMILES:
c1(nc(cs1)C)N
Canonical SMILES:
Cc1csc(n1)N
InChI:
InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
InChIKey:
OUQMXTJYCAJLGO-UHFFFAOYSA-N

Cite this record

CBID:52779 http://www.chembase.cn/molecule-52779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
2-thiazolamine, 4-methyl-
Synonyms
2-Amino-4-methylthiazole
4-Methylthiazol-2-amine
4-Methyl-1,3-thiazol-2-amine
2-Amino-4-methylthiazole
2-AMINO-4-METHYLTHIAZOLE HYDROCHLORIDE
4-Methyl-2-thiazolamine
2-氨基-4-甲基噻唑
CAS Number
6142-15-0
1603-91-4
EC Number
216-505-6
MDL Number
MFCD00005329
Beilstein Number
107890
Merck Index
14450
PubChem SID
162057542
24891111
PubChem CID
74143

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.989508  H Acceptors
H Donor LogD (pH = 5.5) 0.5118328 
LogD (pH = 7.4) 0.61719704  Log P 0.6187328 
Molar Refractivity 30.0316 cm3 Polarizability 11.026283 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42-46°C expand Show data source
43-45°C expand Show data source
44-47 °C(lit.) expand Show data source
Boiling Point
231°C expand Show data source
231-232 °C(lit.) expand Show data source
231-233°C expand Show data source
Flash Point
>110°C expand Show data source
107°C(224°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic/Keep Cold expand Show data source
Hygroscopic expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C4H6N2S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208068 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A66006 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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