Basic information
- Standard SMILES
CCC(=C1SCCS1)c1ccc(Oc2ccccc2)cc1- InChIKey
SBLGOQLXPIJSAD-UHFFFAOYSA-N- Molecular formula
- C18H18OS2
- Average molar mass
- 314.5 g/mol
Names & identifiers
- Preferred name
- 2-{1-(4-Phenoxyphenyl)propan-1-ylidene}-1,3-dithiolan
- IUPAC
- 2-[1-(4-phenoxyphenyl)propylidene]-1,3-dithiolane
Names & synonyms
SCHEMBL9664676SBLGOQLXPIJSAD-UHFFFAOYSA-N2-{1-(4-Phenoxyphenyl)propan-1-ylidene}-1,3-dithiolan
Database identifiers
- PubChem CID
- 19904372
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
1 records
Compound notes
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