Basic information
- Standard SMILES
O=C1CCc2c1sc1c2CCCC1- InChIKey
GTUGJXYPIUJIIH-UHFFFAOYSA-N- Molecular formula
- C11H12OS
- Average molar mass
- 192.28 g/mol
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-1H-benzo[b]cyclopenta[d]thiophen-3(2H)-one
- IUPAC
- 1,2,5,6,7,8-hexahydrocyclopenta[b][1]benzothiol-3-one
Names & synonyms
1346672-54-55,6,7,8-Tetrahydro-1H-benzo[b]cyclopenta[d]thiophen-3(2H)-oneSCHEMBL1393045GTUGJXYPIUJIIH-UHFFFAOYSA-NDA-45875CS-00678581,2,5,6,7,8-hexahydrocyclopenta[b]benzothiophen-3-one
Database identifiers
- PubChem CID
- 58043797
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Related reactions
10 records
Compound notes
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