Basic information
- CAS
40852-07-1- Standard SMILES
CSc1nc2nc(Cl)ccc2[nH]1- InChIKey
XESOZKPAKCRRCE-UHFFFAOYSA-N- Molecular formula
- C7H6ClN3S
- Average molar mass
- 199.66 g/mol
- Monoisotopic mass
- 198.9970961
Names & identifiers
- Preferred name
- 5-chloro-2-(methylthio)-3H-imidazo[4,5-b]pyridine
- IUPAC
- 5-chloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
Names & synonyms
5-chloro-2-(methylthio)-3H-imidazo[4,5-b]pyridine5-chloro-2-(methylsulfanyl)-1H-imidazo[4,5-b]pyridineDTXSID701233291LT006340852-07-1
Database identifiers
- CAS
40852-07-1- PubChem CID
- 84669147
- DTXSID
DTXSID701233291- Nikkaji
- J1.619.804H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
LogP2.39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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