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116610-61-8 | Pyridine, 2-(3-chlorophenyl)-4-(methylthio)-6-phenyl-
CAS No: 116610-61-8 Catalog No: AG000CUQ MDL No:
Product Description
Catalog Number:
AG000CUQ
Chemical Name:
Pyridine, 2-(3-chlorophenyl)-4-(methylthio)-6-phenyl-
CAS Number:
116610-61-8
Molecular Formula:
C18H14ClNS
Molecular Weight:
311.8285
IUPAC Name:
2-(3-chlorophenyl)-4-methylsulfanyl-6-phenylpyridine
InChI:
InChI=1S/C18H14ClNS/c1-21-16-11-17(13-6-3-2-4-7-13)20-18(12-16)14-8-5-9-15(19)10-14/h2-12H,1H3
InChI Key:
VVCGWKJKTUPLOR-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1cccc(c1)Cl)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.827g/mol
Monoisotopic Mass:
311.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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