Basic information
- Standard SMILES
COc1ccc(C(C)(C)C2SCCS2)cc1C=O- InChIKey
OQERSJCCYCBZEP-UHFFFAOYSA-N- Molecular formula
- C14H18O2S2
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-5-[1-(1,3-dithiolan-2-yl)-1-methylethyl]benzaldehyde
- IUPAC
- 5-[2-(1,3-dithiolan-2-yl)propan-2-yl]-2-methoxybenzaldehyde
Names & synonyms
SCHEMBL7592032OQERSJCCYCBZEP-UHFFFAOYSA-N2-Methoxy-5-[1-(1,3-dithiolan-2-yl)-1-methylethyl]benzaldehyde
Database identifiers
- PubChem CID
- 19066490
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
6 records
Compound notes
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