Basic information
- Standard SMILES
ClCCCCSCc1ccccn1- InChIKey
SPOJMJGNESDJGJ-UHFFFAOYSA-N- Molecular formula
- C10H14ClNS
- Average molar mass
- 215.74 g/mol
- Monoisotopic mass
- 215.0535483
Names & identifiers
- Preferred name
- Pyrid-2-ylmethyl 4-chlorobutyl sulphide
- IUPAC
- 2-(4-chlorobutylsulfanylmethyl)pyridine
Names & synonyms
SCHEMBL10737445SPOJMJGNESDJGJ-UHFFFAOYSA-Npyrid-2-ylmethyl 4-chlorobutyl sulphide
Database identifiers
- PubChem CID
- 9990871
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Related reactions
4 records
Compound notes
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