Basic information
- CAS
60969-95-1- Standard SMILES
Br.CNC1Cc2cc(O)c(O)cc2Sc2ccccc21- InChIKey
BZEAZOHIIJAWME-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO2S
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 353.00851
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(methylamino)-, hydrobromide, hydrate (2:2:1)
- IUPAC
- 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;hydrobromide
Names & synonyms
10,11-Dihydro-10-(methylamino)dibenzo(b,f)thiepin-2,3-diol hydrobromide hydrate (2:2:1)60969-95-12,3-Dihydroxy-10-methylamino-10,11-dihydrodibenzo(b,f)thiepin hydrobromide hemihydrateDibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(methylamino)-, hydrobromide, hydrate (2:2:1)RefChem:337181DTXSID8097645110-(Methylamino)-10,11-dihydrodibenzo[b,f]thiepine-2,3-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
60969-95-1- PubChem CID
- 3045604
- DTXSID
DTXSID80976451
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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