Basic information
- Standard SMILES
Ic1cccnc1SCc1ccccc1- InChIKey
OTUKBWGKNWBQLT-UHFFFAOYSA-N- Molecular formula
- C12H10INS
- Average molar mass
- 327.19 g/mol
Names & identifiers
- Preferred name
- 2-Benzylthio-3-iodopyridine
- IUPAC
- 2-benzylsulfanyl-3-iodopyridine
Names & synonyms
2-Benzylthio-3-iodopyridine2-(Benzylthio)-3-iodopyridineSCHEMBL8883167OTUKBWGKNWBQLT-UHFFFAOYSA-NSY508934136664-42-1
Database identifiers
- PubChem CID
- 15036865
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Related reactions
5 records
Compound notes
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