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920980-52-5 | 1H-Benzimidazole-4,7-dicarbonitrile, 2,3-dihydro-1-phenyl-2-thioxo-
CAS No: 920980-52-5 Catalog No: AG006JL6 MDL No:
Product Description
Catalog Number:
AG006JL6
Chemical Name:
1H-Benzimidazole-4,7-dicarbonitrile, 2,3-dihydro-1-phenyl-2-thioxo-
CAS Number:
920980-52-5
Molecular Formula:
C15H8N4S
Molecular Weight:
276.3158
IUPAC Name:
3-phenyl-2-sulfanylidene-1H-benzimidazole-4,7-dicarbonitrile
InChI:
InChI=1S/C15H8N4S/c16-8-10-6-7-11(9-17)14-13(10)18-15(20)19(14)12-4-2-1-3-5-12/h1-7H,(H,18,20)
InChI Key:
JTMJJULOPLBCEY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1n(c1ccccc1)c(=S)[nH]2)C#N
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.317g/mol
Monoisotopic Mass:
276.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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