AG009CEH

1401318-10-2 | 4,6-Dichloro-2-(propylthio)pyrimidine

AG009CEH

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CAS Number	1401318-10-2
Catalog Number	AG009CEH(AGN-PC-0WQVJC)
Chemical Name	4,6-Dichloro-2-(propylthio)pyrimidine
IUPAC Name	4,6-dichloro-2-propylsulfanylpyrimidine
InChI	InChI=1S/C7H8Cl2N2S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3
InChI Key	GJSKUPWUDKTHHN-UHFFFAOYSA-N
MDL Number	MFCD28167858
Molecular Formula	C7H8Cl2N2S
Molecular Weight	223.1228
SMILES	ClC1=NC(=NC(=C1)Cl)SCCC
Synonyms	4,6-Dichloro-2-(propylthio)pyrimidine, 1401318-10-2, SCHEMBL17209317, CS-M2376, 2-(Propylthio)-4,6-dichloropyrimidine, CS-13284, PyriMidine,4,6-dichloro-2-(propylthio)-, 4,6-dichloro-2-(n-propylsulfanyl)pyrimidine, ACN-043938, 4,6-dichloro-2-propylsulfanylpyrimidine, Pyrimidine, 4,6-dichloro-2-(propylthio)-,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.115g/mol
Monoisotopic Mass	221.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2810

Certificate of Analysis

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