2-Benzothiophene-1,3-dithione
Basic information
- CAS
17165-72-9- Standard SMILES
S=C1SC(=S)c2ccccc21- InChIKey
PQFUKVWTMZWAMW-UHFFFAOYSA-N- Molecular formula
- C8H4S3
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 195.94751365
Names & identifiers
- Preferred name
- 2-Benzothiophene-1,3-dithione
- IUPAC
- 2-benzothiophene-1,3-dithione
Names & synonyms
2-Benzothiophene-1,3-dithione17165-72-9SCHEMBL1157925DTXSID60724710
Database identifiers
- CAS
17165-72-9- PubChem CID
- 57370511
- DTXSID
DTXSID60724710- Nikkaji
- J893.215H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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