Basic information
- Standard SMILES
CS(=O)(=O)CCc1cccc(C=O)c1- InChIKey
ZXVCTYWOMGKLFQ-UHFFFAOYSA-N- Molecular formula
- C10H12O3S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.05071541
Names & identifiers
- Preferred name
- 3-(2-Methylsulfonylethyl)benzaldehyde
- IUPAC
- 3-(2-methylsulfonylethyl)benzaldehyde
Names & synonyms
SCHEMBL661751
Database identifiers
- PubChem CID
- 86635910
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Related reactions
1 records
Compound notes
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