5-Butyl-1-benzothiophene-4,7-dione
Basic information
- CAS
123332-47-8- Standard SMILES
CCCCC1=CC(=O)c2sccc2C1=O- InChIKey
HSQZSTXONVUPTH-UHFFFAOYSA-N- Molecular formula
- C12H12O2S
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.05580079
Names & identifiers
- Preferred name
- 5-Butyl-1-benzothiophene-4,7-dione
- IUPAC
- 5-butyl-1-benzothiophene-4,7-dione
Names & synonyms
5-Butyl-1-benzothiophene-4,7-dione1-Benzothiophene-4,7-dione, 5-butyl-123332-47-8CHEMBL351824DTXSID90153978
Database identifiers
- CAS
123332-47-8- PubChem CID
- 180185
- DTXSID
DTXSID90153978- ChEMBL
CHEMBL351824- Nikkaji
- J265.278A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…