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Home > Pyridines > 131841-89-9
131841-89-9 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-phenyl-4-(2-thienyl)-2-thioxo-
CAS No: 131841-89-9 Catalog No: AG000ZTF MDL No:
Product Description
Catalog Number:
AG000ZTF
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-phenyl-4-(2-thienyl)-2-thioxo-
CAS Number:
131841-89-9
Molecular Formula:
C16H10N2S2
Molecular Weight:
294.3940
IUPAC Name:
6-phenyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C16H10N2S2/c17-10-13-12(15-7-4-8-20-15)9-14(18-16(13)19)11-5-2-1-3-6-11/h1-9H,(H,18,19)
InChI Key:
DNUHQJYNULOYOB-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(cc1c1cccs1)c1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.39g/mol
Monoisotopic Mass:
294.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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