Basic information
- CAS
86073-86-1- Standard SMILES
Cn1cnc2c(SCc3ccccc3Cl)nccc21- InChIKey
GEUKKBSCHDHICQ-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3S
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.04404606
Overview
structure given in first source
Names & identifiers
- Preferred name
- Emd 39593
- IUPAC
- 4-[(2-chlorophenyl)methylsulfanyl]-1-methylimidazo[4,5-c]pyridine
Names & synonyms
Emd 39593Emd-3959386073-86-1DTXSID002353901H-Imidazo(4,5-c)pyridine, 4-(((2-chlorophenyl)methyl)thio)-1-methyl-RefChem:136596DTXCID00157881(4-(2-Chlorobenzylthio)-1-methyl-1H-imidazo(4,5-c)pyridine)SCHEMBL10741334GEUKKBSCHDHICQ-UHFFFAOYSA-N4-o-chloro-benzylthio-1-methyl-1H-imidazo(4,5-c)pyridine4-{[(2-Chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazo[4,5-c]pyridine
Database identifiers
- CAS
86073-86-1- PubChem CID
- 135146
- DTXSID
DTXSID00235390
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
1 records
Compound notes
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