AG003MLY

38275-42-2 | 5-Chloro-2-(methylthio)pyrimidine

AG003MLY

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CAS Number	38275-42-2
Catalog Number	AG003MLY(AGN-PC-0WCZF3)
Chemical Name	5-Chloro-2-(methylthio)pyrimidine
IUPAC Name	5-chloro-2-methylsulfanylpyrimidine
InChI	InChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChI Key	YYQOYLZOMFNKKG-UHFFFAOYSA-N
MDL Number	MFCD00489773
Molecular Formula	C5H5ClN2S
Molecular Weight	160.6246
SMILES	CSC1=NC=C(Cl)C=N1
Synonyms	5-Chloro-2-(methylthio)pyrimidine, 38275-42-2, 5-chloro-2-(methylsulfanyl)pyrimidine, 2-METHYLSULFANYL-5-CHLOROPYRIMIDINE, 5-chloro-2-methylthiopyrimidine, AK173629, AC1NHAJ2, ACMC-1AJ0D, SCHEMBL2986066, 2-Methylthio-5-chloropyrimidine, CTK4H9609, DTXSID70406116, YYQOYLZOMFNKKG-UHFFFAOYSA-N, 2-(Methylthio)-5-chloropyrimidine, 5-chloro-2-methylsulfanylpyrimidine, ZINC4137177, ZX-AL000638, FCH835602, MFCD00489773, SBB039316, Pyrimidine,5-chloro-2-(methylthio)-, AKOS000267745, AB06339, Pyrimidine, 5-chloro-2-(methylthio)-, 5-Chloro-2-(methylthio)pyrimidine, 97%, AS-37971, TC-168363, 5-CHLORO-2-METHYLSULFANYL-PYRIMIDINE, CS-0045903, ST50160334, KS-00000817, ZINC04137177, CID4737063,

Complexity	83
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.986g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.619g/mol
Monoisotopic Mass	159.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319
Packing Group	Ⅱ
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code	UN 1759

Certificate of Analysis

Lot Number