AG0011KB

133047-44-6 | 4-Thiazolecarboxylic acid, 2-(1-methylethyl)-, ethyl ester

AG0011KB

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CAS Number	133047-44-6
Catalog Number	AG0011KB(AGN-PC-0N65E9)
Chemical Name	4-Thiazolecarboxylic acid, 2-(1-methylethyl)-, ethyl ester
IUPAC Name	ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5-13-8(10-7)6(2)3/h5-6H,4H2,1-3H3
InChI Key	AQWWEQDAHKVXMK-UHFFFAOYSA-N
MDL Number	MFCD09025787
Molecular Formula	C9H13NO2S
Molecular Weight	199.2700
SMILES	CCOC(=O)C1=CSC(=N1)C(C)C
Synonyms	Ethyl 2-isopropylthiazole-4-carboxylate, 133047-44-6, Ethyl 2-isopropyl-1,3-thiazole-4-carboxylate, 2-isopropyl-thiazole-4-carboxylic acid ethyl ester, 4-Thiazolecarboxylic acid, 2-(1-methylethyl)-, ethyl ester, MFCD09025787, SCHEMBL2440072, CTK6F7343, DTXSID20441395, AQWWEQDAHKVXMK-UHFFFAOYSA-N, KS-00002A1L, ZINC8614799, ANW-57036, AKOS006240493, E2470G1, Ethyl 2-Isopropythiazole-4-carboxylate, PS-3830, RP04214, RTR-038842, ethyl 2-isopropyl-4-thiazolecarboxylate, AJ-57734, AB0037929, DB-062945, ST2419317, TR-038842, FT-0685345, Y5264, K-4172, 2-Isopropylthiazole-4-carboxylic acid ethyl ester, 4-(Ethoxycarbonyl)-2-(prop-2-yl)-1,3-thiazole, Ethyl 2-(prop-2-yl)-1,3-thiazole-4-carboxylate, ethyl 2-(propan-2-yl)-1,3-thiazole-4-carboxylate, I09-1839, W-205417, C9H13NO2S, CID10535999, 4-Thiazolecarboxylicacid,2- -,ethylester, Ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.067g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.268g/mol
Monoisotopic Mass	199.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

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