Basic information
- Standard SMILES
COc1ccc2c(c1)CCc1c(cccc1C(=O)Cl)S2- InChIKey
GBXRZHDFSPIIAU-UHFFFAOYSA-N- Molecular formula
- C16H13ClO2S
- Average molar mass
- 304.8 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-10,11-dihydrodibenzo[b,f]thiepin-9-carbonyl chloride
- IUPAC
- 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonyl chloride
Names & synonyms
SCHEMBL11430580GBXRZHDFSPIIAU-UHFFFAOYSA-N2-methoxy-10,11-dihydrodibenzo[b,f]thiepin-9-carbonyl chloride
Database identifiers
- PubChem CID
- 23337065
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
4 records
Compound notes
Loading…