AG008ME0

79312-41-7 | 4,5-Dimethylthiazole-2-carboxylic acid

AG008ME0

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CAS Number	79312-41-7
Catalog Number	AG008ME0(AGN-PC-03C57X)
Chemical Name	4,5-Dimethylthiazole-2-carboxylic acid
IUPAC Name	4,5-dimethyl-1,3-thiazole-2-carboxylic acid
InChI	InChI=1S/C6H7NO2S/c1-3-4(2)10-5(7-3)6(8)9/h1-2H3,(H,8,9)
InChI Key	ICWKPMXHMDXUNE-UHFFFAOYSA-N
MDL Number	MFCD11934399
Molecular Formula	C6H7NO2S
Molecular Weight	157.1903
SMILES	C(=O)(O)c1nc(c(s1)C)C
Synonyms	4,5-Dimethylthiazole-2-carboxylic acid, 79312-41-7, dimethyl-1,3-thiazole-2-carboxylic acid, 4,5-Dimethyl-1,3-thiazole-2-carboxylic acid, 2-Thiazolecarboxylic acid, 4,5-dimethyl-, 4,5-DIMETHYL-THIAZOLE-2-CARBOXYLIC ACID, SCHEMBL11833656, CTK2H6215, KS-00000CUW, DTXSID00615198, ICWKPMXHMDXUNE-UHFFFAOYSA-N, 9829AE, MFCD11934399, ZINC20438695, 4,5-Dimethylthiazole-2-carboxylicacid, AKOS015967778, AH-0719, MCULE-7541880664, 2-Thiazolecarboxylicacid, 4,5-dimethyl-, AJ-77528, SC-34497, SC-72107, SY022801, 2-Thiazolecarboxylic acid,4,5-dimethyl-, DB-082999, FT-0743601, MFCD11934399 (97%), Z-5427, C6H7NO2S,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.187g/mol
Monoisotopic Mass	157.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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