Basic information
- Standard SMILES
O=Cc1ccc(CSc2ccccc2)cc1- InChIKey
JUBPQKIMHWZAKL-UHFFFAOYSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
Names & identifiers
- Preferred name
- 4-[(Phenylsulfanyl)methyl]benzaldehyde
- IUPAC
- 4-(phenylsulfanylmethyl)benzaldehyde
Names & synonyms
4-[(phenylsulfanyl)methyl]benzaldehyde496965-13-04-((Phenylthio)methyl)benzaldehyde4-(phenylsulfanylmethyl)benzaldehydeSCHEMBL5102434-(phenylthiomethyl)benzaldehydeJUBPQKIMHWZAKL-UHFFFAOYSA-JUBPQKIMHWZAKL-UHFFFAOYSA-N4-Phenylsulfanylmethyl-benzaldehydeSBB097327AO-289/15480056InChI=1/C14H12OS/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-10H,11H2
Database identifiers
- PubChem CID
- 820241
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Related reactions
6 records
Compound notes
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