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Overview

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1H-Benzimidazole-6-Thiol
PharmaCompass
  • Chemistry
1H-Benzimidazole-6-Thiol
Also known as: 1094456-22-0, Schembl1286646, Zinc34414424, Akos009323881, Kb-261626
Molecular Formula
C7H6N2S
Molecular Weight
150.199  g/mol
InChI Key
SOMKOFZJHWCRCJ-UHFFFAOYSA-N

1 2D Structure

1H-Benzimidazole-6-Thiol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3H-benzimidazole-5-thiol
2.1.2 InChI
InChI=1S/C7H6N2S/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
2.1.3 InChI Key
SOMKOFZJHWCRCJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1S)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1094456-22-0

2. Schembl1286646

3. Zinc34414424

4. Akos009323881

5. Kb-261626

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 150.199 g/mol
Molecular Formula C7H6N2S
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass150.025 g/mol
Monoisotopic Mass150.025 g/mol
Topological Polar Surface Area29.7 A^2
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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