AG0039FZ

99469-85-9 | 4,5-Dichloro-2-(methylthio)pyrimidine

AG0039FZ

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CAS Number	99469-85-9
Catalog Number	AG0039FZ(AGN-PC-000W9W)
Chemical Name	4,5-Dichloro-2-(methylthio)pyrimidine
IUPAC Name	4,5-dichloro-2-methylsulfanylpyrimidine
InChI	InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChI Key	JATIYCWFOYRIEM-UHFFFAOYSA-N
MDL Number	MFCD16987934
Molecular Formula	C5H4Cl2N2S
Molecular Weight	195.0697
SMILES	ClC1=NC(=NC=C1Cl)SC
Synonyms	99469-85-9, 4,5-DICHLORO-2-(METHYLSULFANYL)PYRIMIDINE, 4,5-DICHLORO-2-(METHYLTHIO)PYRIMIDINE, AK165294, PYRIMIDINE, 4,5-DICHLORO-2-(METHYLTHIO)-, SCHEMBL2714124, KS-00000SHC, DTXSID90558262, JATIYCWFOYRIEM-UHFFFAOYSA-N, 4700AF, MFCD16987934, ZINC34261167, AKOS015949332, DS-8951, FCH1147636, PB31816, RP08392, 2-methylsulphenyl-4,5-dichloro-pyrimidine, AX8263915, AM20120405, CS-0053795, FT-0684779, C-8783, J-514079, C5H4Cl2N2S,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.947g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.061g/mol
Monoisotopic Mass	193.947g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number