Basic information
- CAS
238426-41-0- Standard SMILES
Sc1ccc2c(c1)ncn2-c1ccccc1- InChIKey
QJMFHEHQAWFOPG-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- 1-Phenyl-1H-benzimidazole-5-thiol
- IUPAC
- 1-phenylbenzimidazole-5-thiol
Names & synonyms
238426-41-01-Phenyl-1H-benzimidazole-5-thiol1-phenyl-1h-benzo[d]imidazole-5-thiol5-Substituted 1-Phenylbenzimidazole 231-phenyl-1H-1,3-benzodiazole-5-thiolBDBM3934CHEMBL419653SCHEMBL7975709DTXSID804161651-Phenyl-1H-1,3-benzimidazole-5-thiol5-Mercapto-1-phenylbenzimidazole Hydrochloride
Database identifiers
- CAS
238426-41-0- PubChem CID
- 5328513
- DTXSID
DTXSID80416165- ChEMBL
CHEMBL419653- Nikkaji
- J1.159.564B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…