Basic information
- CAS
113544-21-1- Standard SMILES
O=C1C=C(SCc2ccccc2)SC1=Cc1ccccc1- InChIKey
HVLRBSYOCNXFSY-UHFFFAOYSA-N- Molecular formula
- C18H14OS2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.04860741
Names & identifiers
- Preferred name
- 2-Benzylidene-5-(benzylsulfanyl)thiophen-3(2H)-one
- IUPAC
- 2-benzylidene-5-benzylsulfanylthiophen-3-one
Names & synonyms
DTXSID2011863342-Benzylidene-5-(benzylsulfanyl)thiophen-3(2H)-one2-(Phenylmethylene)-5-[(phenylmethyl)thio]-3(2H)-thiophenone113544-21-1
Database identifiers
- CAS
113544-21-1- PubChem CID
- 85545985
- DTXSID
DTXSID201186334
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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