Basic information
- Standard SMILES
O=C1C=CC(=O)c2cc3sc(=S)sc3cc21- InChIKey
KFVAJYSLZIFIFZ-UHFFFAOYSA-N- Molecular formula
- C11H4O2S3
- Average molar mass
- 264.3 g/mol
Names & identifiers
- Preferred name
- 2-Thioxonaphth[2,3-d] [1,3]dithiol-5,8-dione
- IUPAC
- 2-sulfanylidenebenzo[f][1,3]benzodithiole-5,8-dione
Names & synonyms
SCHEMBL472817KFVAJYSLZIFIFZ-UHFFFAOYSA-N2-thioxonaphth[2,3-d] [1,3]dithiol-5,8-dione
Database identifiers
- PubChem CID
- 15468809
- Nikkaji
- J3.211.878J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 379
Related reactions
1 records
Compound notes
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