Basic information
- Standard SMILES
O=Cc1ccccc1SCCCCCl- InChIKey
IXOXAOWMSGWXMT-UHFFFAOYSA-N- Molecular formula
- C11H13ClOS
- Average molar mass
- 228.74 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Chlorobutyl)thio]benzaldehyde
- IUPAC
- 2-(4-chlorobutylsulfanyl)benzaldehyde
Names & synonyms
SCHEMBL7384646IXOXAOWMSGWXMT-UHFFFAOYSA-N2-[(4-Chlorobutyl)thio]benzaldehyde
Database identifiers
- PubChem CID
- 19023637
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
2 records
Compound notes
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