Basic information
- CAS
50741-66-7- Standard SMILES
NC(=O)C1c2ccccc2CSc2ccccc21- InChIKey
KWMIYIVKXATREY-UHFFFAOYSA-N- Molecular formula
- C15H13NOS
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.07178521
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-carboxamide, 6,11-dihydro-
- IUPAC
- 6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide
- English name
- 6,11-dihydrodibenzo[b,e]thiepine-11-carboxamide
- Molecular formula
- C15H13NOS
- Molecular weight
- 255.33
Names & synonyms
50741-66-7DIBENZO(b,e)THIEPIN-11-CARBOXAMIDE, 6,11-DIHYDRO-BRN 46855416,11-Dihydrodibenzo(b,e)thiepin-11-carboxamideRefChem:3371056,11-dihydrodibenzo[b,e]thiepine-11-carboxamide6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamideOprea1_554000MLS000545541CHEMBL1467268DTXSID40964975HMS2284H06
Show more names
Dibenzo[b,e]thiepin-11-carboxamide, 6,11-dihydro-
AKOS005064336NCGC00247262-01SMR000162800AE-641/301100586,11-Dihydrodibenzo[b,e]thiepine-11-carboximidic acid
Database identifiers
- CAS
50741-66-7- PubChem CID
- 39771
- DTXSID
DTXSID40964975- ChEMBL
CHEMBL1467268
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 471.4 · 471.4±45.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 15.68 · 15.68±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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