Basic information
- Standard SMILES
O=C1C2=C(C=CCC2)SCc2ccccc21- InChIKey
NHZXDVRZOSCEGT-UHFFFAOYSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.06088618
Names & identifiers
- Preferred name
- 6.1-Dihydro-dibenzo[b,e]thiepin-11-one
- IUPAC
- 2,6-dihydro-1H-benzo[c][1]benzothiepin-11-one
Names & synonyms
SCHEMBL6162523NHZXDVRZOSCEGT-UHFFFAOYSA-N6.1-dihydro-dibenzo[b,e]thiepin-11-one
Database identifiers
- PubChem CID
- 22397664
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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