AG00GSMD

91516-28-8 | Ethanone, 1-(5-thiazolyl)- (9CI)

AG00GSMD

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CAS Number	91516-28-8
Catalog Number	AG00GSMD(AGN-PC-0007YQ)
Chemical Name	Ethanone, 1-(5-thiazolyl)- (9CI)
IUPAC Name	1-(1,3-thiazol-5-yl)ethanone
InChI	InChI=1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
InChI Key	DBNLYQBYTOYCGO-UHFFFAOYSA-N
MDL Number	MFCD08275001
Molecular Formula	C5H5NOS
Molecular Weight	127.1643
SMILES	CC(=O)C1=CN=CS1
Synonyms	91516-28-8, 1-Thiazol-5-yl-ethanone, 1-(5-thiazolyl)ethanone, 1-(Thiazol-5-yl)ethanone, 5-Acetylthiazole, 1-(1,3-thiazol-5-yl)ethan-1-one, 1-(1,3-thiazol-5-yl)ethanone, Ethanone, 1-(5-thiazolyl)-, Ethanone, 1-(5-thiazolyl)- (9CI), Ethanone,1-(5-thiazolyl)-, SCHEMBL299024, 1-(thiazol-5-yl)ethan-1-one, CTK5G9736, DTXSID30554864, DBNLYQBYTOYCGO-UHFFFAOYSA-N, 5381AC, ANW-72279, MFCD08275001, STL453420, ZINC12650585, Ethanone,1-(5-thiazolyl)- (9CI), AKOS008118522, MCULE-5771579983, AJ-62984, AS-38492, EN001825, SC-20615, DB-030558, TC-161024, AM20120324, FT-0647339, EN300-79140, A843956, Z1211292369, C5H5NOS, A-2450, N/A,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.009g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.161g/mol
Monoisotopic Mass	127.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

Lot Number