Basic information
- Standard SMILES
COc1ccc2c(c1)CCc1c(Cl)cccc1S2- InChIKey
BGANTFIADHKBKB-UHFFFAOYSA-N- Molecular formula
- C15H13ClOS
- Average molar mass
- 276.8 g/mol
- Monoisotopic mass
- 276.0375639
Names & identifiers
- Preferred name
- 2-Methoxy-9-chloro-10,11-dihydrodibenzo[b,f]thiepin
- IUPAC
- 7-chloro-3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine
Names & synonyms
SCHEMBL11442744BGANTFIADHKBKB-UHFFFAOYSA-N2-methoxy-9-chloro-10,11-dihydrodibenzo[b,f]thiepin
Database identifiers
- PubChem CID
- 23337050
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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