AG000TGF

1269119-14-3 | 5-Pyrimidinecarbonyl chloride, 4,6-dichloro-2-(methylthio)-

AG000TGF

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CAS Number	1269119-14-3
Catalog Number	AG000TGF(AGN-PC-0WAGXP)
Chemical Name	5-Pyrimidinecarbonyl chloride, 4,6-dichloro-2-(methylthio)-
IUPAC Name	4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride
InChI	InChI=1S/C6H3Cl3N2OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3
InChI Key	MHZGWIOWCZZQNF-UHFFFAOYSA-N
MDL Number	MFCD22200536
Molecular Formula	C6H3Cl3N2OS
Molecular Weight	257.5248
SMILES	CSC1=NC(Cl)=C(C(Cl)=O)C(Cl)=N1
Synonyms	4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride, 1269119-14-3, 5-Pyrimidinecarbonyl chloride, 4,6-dichloro-2-(methylthio)-, MHZGWIOWCZZQNF-UHFFFAOYSA-N, C6H3Cl3N2OS, SCHEMBL3588741, 6039AJ, MFCD22200536, ZINC86005635, AKOS025404320, QC-9667, AS-32323, SY025780, AB0072483, Z-3602, MFCD22200536 (95+%), 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonylchloride, 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride, 97%,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.903g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.513g/mol
Monoisotopic Mass	255.903g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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