Basic information
- CAS
156866-53-4- Standard SMILES
CC(=O)SCc1ccc(C=O)cc1- InChIKey
GBKJZXDXGKMGLM-UHFFFAOYSA-N- Molecular formula
- C10H10O2S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.04015073
Names & identifiers
- Preferred name
- 4-(S-Acetylthiomethyl)benzaldehyde
- IUPAC
- S-[(4-formylphenyl)methyl] ethanethioate
Names & synonyms
4-(S-Acetylthiomethyl)benzaldehyde156866-53-4SCHEMBL3285808GBKJZXDXGKMGLM-UHFFFAOYSA-NDTXSID901276752S-[(4-formylphenyl)methyl] ethanethioate
Database identifiers
- CAS
156866-53-4- PubChem CID
- 10559727
- DTXSID
DTXSID901276752- Nikkaji
- J1.476.023G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
2 records
Compound notes
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