AG00022Z

100478-25-9 | Pyrimidine, 4,6-bis(difluoromethoxy)-2-(methylthio)-

AG00022Z

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CAS Number	100478-25-9
Catalog Number	AG00022Z(AGN-PC-0NEXVT)
Chemical Name	Pyrimidine, 4,6-bis(difluoromethoxy)-2-(methylthio)-
IUPAC Name	4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
InChI	InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChI Key	HURDQHYOXAOOJJ-UHFFFAOYSA-N
MDL Number	MFCD04038054
Molecular Formula	C7H6F4N2O2S
Molecular Weight	258.1934
SMILES	CSC1=NC(OC(F)F)=CC(OC(F)F)=N1
Synonyms	4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine, 100478-25-9, ACMC-1BUYK, SCHEMBL7586002, CTK3J8977, DTXSID90453127, HURDQHYOXAOOJJ-UHFFFAOYSA-N, ZINC2525140, ANW-14294, MFCD04038054, AKOS026671276, KS-0000170I, TC-103039, B2755, 4,6-bis-difluoromethoxy-2-methylthiopyrimidine, J-000141, 4,6-Bis(difluoromethoxy)-2-(methylsulfanyl)pyrimidine, I14-57044, Pyrimidine,4,6-bis(difluoromethoxy)-2-(methylthio)-, CID11043427, 4,6-bis(difluoromethoxy)-2-methylsulfanyl-pyrimidine,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.009g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.191g/mol
Monoisotopic Mass	258.009g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

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