Basic information
- CAS
31689-73-3- Standard SMILES
CC(=O)OC1Sc2ccccc2C(=O)c2ccccc21- InChIKey
OCBVOCHRPOKVBT-UHFFFAOYSA-N- Molecular formula
- C16H12O3S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.05071541
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate
- IUPAC
- (11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate
Names & synonyms
6-Hydroxydibenzo(b,e)thiepin-11(6H)-one acetate31689-73-36-Acetoxy-6,11-dihydrodibenzo(b,e)thiepin-11-oneDIBENZO(b,e)THIEPIN-11(6H)-ONE, 6-HYDROXY-, ACETATERefChem:337093DTXSID5095363811-oxo-6,11-dihydrodibenzo[b,e]thiepin-6-yl acetate
Database identifiers
- CAS
31689-73-3- PubChem CID
- 35870
- DTXSID
DTXSID50953638
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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