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2627-52-3 | Pyrimidine, 2-(methylthio)-4-phenyl-6-(trifluoromethyl)-
CAS No: 2627-52-3 Catalog No: AG002SJJ MDL No:
Product Description
Catalog Number:
AG002SJJ
Chemical Name:
Pyrimidine, 2-(methylthio)-4-phenyl-6-(trifluoromethyl)-
CAS Number:
2627-52-3
Molecular Formula:
C12H9F3N2S
Molecular Weight:
270.2735
IUPAC Name:
2-methylsulfanyl-4-phenyl-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C12H9F3N2S/c1-18-11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
InChI Key:
PQTKAEIVSMJYCD-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)c1ccccc1)C(F)(F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.273g/mol
Monoisotopic Mass:
270.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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