AG00G5JJ

7533-07-5 | 2-Acetyl-4-methylthiazole

AG00G5JJ

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CAS Number	7533-07-5
Catalog Number	AG00G5JJ(AGN-PC-0LQ1JD)
Chemical Name	2-Acetyl-4-methylthiazole
IUPAC Name	1-(4-methyl-1,3-thiazol-2-yl)ethanone
InChI	InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3
InChI Key	QPUIPSFYQGKAFL-UHFFFAOYSA-N
MDL Number	MFCD07369793
Molecular Formula	C6H7NOS
Molecular Weight	141.1909
SMILES	CC1=CSC(C(C)=O)=N1
Synonyms	1-(4-Methylthiazol-2-yl)ethanone, 2-Acetyl-4-methylthiazole, 7533-07-5, Ethanone, 1-(4-methyl-2-thiazolyl)-, QPUIPSFYQGKAFL-UHFFFAOYSA-N, 2-Acetyl-4-methylthiazole, 97%, 233665-91-3, 1-(4-methyl-1,3-thiazol-2-yl)ethanone, 4-methyl-2-acetylthiazole, AC1NT5NK, 2-Acetyl-4-methylthiazol, SCHEMBL929092, AC1Q1K04, CTK2G9162, DTXSID20415955, MFCD07369793, ZINC25723359, 1-(4-Methyl-thiazol-2-yl)-ethanone, AKOS012685824, AB32246, RP01286, AJ-82058, AS-40885, Y8372, 1-(4-METHYL-1,3-THIAZOL-2-YL)ETHAN-1-ONE, InChI=1/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H, C6H7NOS, CID5324797,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.025g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.188g/mol
Monoisotopic Mass	141.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements
Signal Words	warning

Certificate of Analysis

Lot Number