Basic information
- CAS
60969-94-0- Standard SMILES
Br.NC1Cc2cc(O)c(O)cc2Sc2ccccc21- InChIKey
OXQFSOUAVFMGNC-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO2S
- Average molar mass
- 340.24 g/mol
- Monoisotopic mass
- 338.99286
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-amino-, hydrobromide
- IUPAC
- 6-amino-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;hydrobromide
Names & synonyms
10,11-Dihydro-10-aminodibenzo(b,f)thiepin-2,3-diol hydrobromide60969-94-010-Amino-2,3-dihydroxy-10,11-dihydrodibenzo(b,f)thiepin hydrobromideDibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-amino-, hydrobromideRefChem:337182DTXSID2097645010-Amino-10,11-dihydrodibenzo[b,f]thiepine-2,3-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
60969-94-0- PubChem CID
- 3045602
- DTXSID
DTXSID20976450
Properties
Computed structural properties
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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