AG000PM6

119778-44-8 | 5-Thiazolecarboxylic acid, 4-ethyl-2-methyl-

AG000PM6

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CAS Number	119778-44-8
Catalog Number	AG000PM6(AGN-PC-0023AY)
Chemical Name	5-Thiazolecarboxylic acid, 4-ethyl-2-methyl-
IUPAC Name	4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C7H9NO2S/c1-3-5-6(7(9)10)11-4(2)8-5/h3H2,1-2H3,(H,9,10)
InChI Key	VANMGYYUWZXKPW-UHFFFAOYSA-N
MDL Number	MFCD12027007
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	C(C)C1=C(SC(=N1)C)C(=O)O
Synonyms	119778-44-8, 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid, 4-Ethyl-2-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 4-ethyl-2-methyl-, ACMC-209z5h, SCHEMBL9368491, CTK0F9407, DTXSID90562602, VANMGYYUWZXKPW-UHFFFAOYSA-N, ALBB-005687, KS-00000IK2, ANW-49827, MFCD12027007, STK503551, ZINC29866033, AKOS005171513, DS-1241, FS-3215, MCULE-2916342229, 2-methyl-4ethylthiazole-5carboxylic acid, AJ-83855, AK-56280, BR-56280, 2-methyl-4-ethylthiazole-5carboxylic acid, 2-methyl-4-ethyl-5-thiazolecarboxylic acid, AB0035122, RT-020368, TR-058581, 4CH-009366, BB 0238169, ST24029078, X9398, S-5146, C7H9NO2S, 2-amino-5-ethylbenzoic acid, 4-Ethyl-2-methylthiazole-5-carboxylicacid,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.214g/mol
Monoisotopic Mass	171.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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