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2360-29-4 | 1H-Benzimidazole, 2-(phenylthio)-
CAS No: 2360-29-4 Catalog No: AG002NV3 MDL No:
Product Description
Catalog Number:
AG002NV3
Chemical Name:
1H-Benzimidazole, 2-(phenylthio)-
CAS Number:
2360-29-4
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
IUPAC Name:
2-phenylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C13H10N2S/c1-2-6-10(7-3-1)16-13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)
InChI Key:
IHOFRNVUIOVDJP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1nc2c([nH]1)cccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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