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Home > Fluorides > 122815-08-1
122815-08-1 | Pyrimidine, 4,6-difluoro-2-(methylthio)-
CAS No: 122815-08-1 Catalog No: AG000JIZ MDL No:
Product Description
Catalog Number:
AG000JIZ
Chemical Name:
Pyrimidine, 4,6-difluoro-2-(methylthio)-
CAS Number:
122815-08-1
Molecular Formula:
C5H4F2N2S
Molecular Weight:
162.1605
IUPAC Name:
4,6-difluoro-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H4F2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChI Key:
DKOCBKCIRMJSSA-UHFFFAOYSA-N
SMILES:
CSc1nc(F)cc(n1)F
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.158g/mol
Monoisotopic Mass:
162.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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