Basic information
- CAS
97608-57-6- Standard SMILES
CN(C)CC1c2ccccc2CSc2ccccc21- InChIKey
ICVCJRXWYDUPFT-UHFFFAOYSA-N- Molecular formula
- C17H19NS
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.12382078
Names & identifiers
- Preferred name
- 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylmethanamine
- IUPAC
- 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylmethanamine
Names & synonyms
97608-57-66,11-Dihydro-N,N-dimethyldibenzo[b,e]thiepin-11-methanamineN-(6,11-dihydrodibenzo[b,e]thiepin-11-ylmethyl)-N,N-dimethylamine1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylmethanamineOprea1_688458AE-641/30153063CHEMBL1626314DTXSID901189777NCGC00247143-011-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethylmethanamine
Database identifiers
- CAS
97608-57-6- PubChem CID
- 54870
- DTXSID
DTXSID901189777- ChEMBL
CHEMBL1626314
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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