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92126-72-2 | 6-phenyl-2-sulfanylpyridine-3-carbonitrile
CAS No: 92126-72-2 Catalog No: AG01AIAJ MDL No:MFCD00722618
Product Description
Catalog Number:
AG01AIAJ
Chemical Name:
6-phenyl-2-sulfanylpyridine-3-carbonitrile
CAS Number:
92126-72-2
Molecular Formula:
C12H8N2S
Molecular Weight:
212.2703
MDL Number:
MFCD00722618
IUPAC Name:
6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C12H8N2S/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChI Key:
XJUANYPYIQLJEC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1S)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.27g/mol
Monoisotopic Mass:
212.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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