1 2D Structure

2D Structure

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. 5-mercapto-1h-benzimidazole

3. Schembl1286646

4. Zinc34414424

5. Akos009323881

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₆N₂S
Molecular Weight	150.20 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.02516937 g/mol
Monoisotopic Mass	150.02516937 g/mol
Topological Polar Surface Area	29.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 1094456-22-0