Basic information
- CAS
68516-80-3- Standard SMILES
Cc1ccc(C)c2c1SC(=C1Sc3ccccc3C1=O)C2=O- InChIKey
LEJFJMYRQZBWHT-UHFFFAOYSA-N- Molecular formula
- C18H12O2S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.02787197
Names & identifiers
- Preferred name
- Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
- IUPAC
- 4,7-dimethyl-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Names & synonyms
68516-80-3Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-D2DBJ5PP9E4,7-Dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophen-3(2H)-oneNS00036628
Database identifiers
- CAS
68516-80-3- PubChem CID
- 110435
- DTXSID
DTXSID5071595- UNII
- D2DBJ5PP9E
- EC Number
- 271-182-9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 553
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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