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72255-31-3 | 1H-Benzimidazole-2-sulfenicacid
CAS No: 72255-31-3 Catalog No: AG005J32 MDL No:
Product Description
Catalog Number:
AG005J32
Chemical Name:
1H-Benzimidazole-2-sulfenicacid
CAS Number:
72255-31-3
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
IUPAC Name:
2-hydroxysulfanyl-1H-benzimidazole
InChI:
InChI=1S/C7H6N2OS/c10-11-7-8-5-3-1-2-4-6(5)9-7/h1-4,10H,(H,8,9)
InChI Key:
QAMRQEMANWKFAX-UHFFFAOYSA-N
SMILES:
OSc1nc2c([nH]1)cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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