AG00BCUU

300831-06-5 | 4-Isopropylthiazole-2-carboxylic acid

AG00BCUU

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CAS Number	300831-06-5
Catalog Number	AG00BCUU(AGN-PC-03S6SZ)
Chemical Name	4-Isopropylthiazole-2-carboxylic acid
IUPAC Name	4-propan-2-yl-1,3-thiazole-2-carboxylic acid
InChI	InChI=1S/C7H9NO2S/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChI Key	RDWHKWXYJQUZNS-UHFFFAOYSA-N
MDL Number	MFCD09864275
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	O=C(C1=NC(C(C)C)=CS1)O
Synonyms	4-ISOPROPYLTHIAZOLE-2-CARBOXYLIC ACID, 300831-06-5, 2-Thiazolecarboxylic acid, 4-(1-methylethyl)-, 4-(1-methylethyl)-2-Thiazolecarboxylicacid, 4-isopropyl-1,3-thiazole-2-carboxylic acid, 4-propan-2-yl-1,3-thiazole-2-carboxylic acid, 4-isopropyl-thiazole-2-carboxylic acid, 4-(PROPAN-2-YL)-1,3-THIAZOLE-2-CARBOXYLIC ACID, PubChem19253, SCHEMBL313040, THI032, CTK1C1992, DTXSID60626265, RDWHKWXYJQUZNS-UHFFFAOYSA-N, ACT06897, BCP28476, CS-B0671, 4-isopropylthiazole-2-carboxlic acid, ANW-44804, ZINC19089000, 4-isopropyl-thiazole-2-carboxlic acid, AKOS006229141, AB53819, AS07096, AC-27268, AJ-71095, AN-28915, CS-13264, EN000380, DB-028939, ST2418439, TC-062542, 2-Thiazolecarboxylicacid,4-(1-methylethyl)-, A5550, FT-0758885, 2-Thiazolecarboxylicacid, 4-(1-methylethyl)-, Y-5686, 831I065, 4-(1-METHYLETHYL)-2-THIAZOLECARBOXYLIC ACID, I04-1399, Q-101052, 4-Isopropylthiazole-2-carboxylicacid, 2-Thiazolecarboxylic acid, 4-(1-methylethyl)- (9CI),

Complexity	161
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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