AG00G607

769124-05-2 | 4-Thiazolecarboxylicacid,2-ethyl-(9CI)

AG00G607

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CAS Number	769124-05-2
Catalog Number	AG00G607(AGN-PC-050GVW)
Chemical Name	4-Thiazolecarboxylicacid,2-ethyl-(9CI)
IUPAC Name	2-ethyl-1,3-thiazole-4-carboxylic acid
InChI	InChI=1S/C6H7NO2S/c1-2-5-7-4(3-10-5)6(8)9/h3H,2H2,1H3,(H,8,9)
InChI Key	NMBMFJUWTJAVBG-UHFFFAOYSA-N
MDL Number	MFCD09258842
Molecular Formula	C6H7NO2S
Molecular Weight	157.1903
SMILES	O=C(C1=CSC(CC)=N1)O
Synonyms	2-ethylthiazole-4-carboxylic acid, 769124-05-2, 2-ethyl-1,3-thiazole-4-carboxylic acid, 4-Thiazolecarboxylicacid,2-ethyl-, SCHEMBL1244889, KS-00000ILL, DTXSID90649164, NMBMFJUWTJAVBG-UHFFFAOYSA-N, ALBB-000143, 1990AC, 4-Thiazolecarboxylic acid, 2-ethyl-, ANW-72375, MFCD09258842, SBB053107, STK502204, ZINC20357779, AKOS005170895, 4-Thiazolecarboxylicacid,2-ethyl-(9CI), AJ-77173, TS-02089, AB0000165, RT-019012, ST2404392, TC-067953, 4CH-019082, A9743, BB 0261995, FT-0730096, S-1099, I09-2015, C6H7NO2S, 4-Thiazolecarboxylic acid, 2-ethyl- (9CI),

Complexity	140
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	2
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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