1-benzyl-1H-imidazo[4,5-c]pyridine-2-thiol
Basic information
- CAS
34477-54-8- Standard SMILES
S=c1[nH]c2cnccc2n1Cc1ccccc1- InChIKey
KEHZLSFDKMWFHH-UHFFFAOYSA-N- Molecular formula
- C13H11N3S
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.06736854
Names & identifiers
- Preferred name
- 1-benzyl-1H-imidazo[4,5-c]pyridine-2-thiol
- IUPAC
- 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione
Names & synonyms
1-benzyl-1H-imidazo[4,5-c]pyridine-2-thiol34477-54-81-benzyl-3H-imidazo[4,5-c]pyridine-2-thioneOprea1_505334Oprea1_731695MLS001163971CHEMBL1519833DTXSID501333687HMS2857P03STL324252AKOS017848990SMR000539349
Show more names
EN300-800050SR-01000200155SR-01000200155-11-Benzyl-1,3-dihydro-2H-imidazo[4,5-c]pyridine-2-thione
Database identifiers
- CAS
34477-54-8- PubChem CID
- 749883
- DTXSID
DTXSID501333687- ChEMBL
CHEMBL1519833
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility5.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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