Dibenzo(c,f)(1,2)thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide
Basic information
- CAS
26638-56-2- Standard SMILES
CN1c2ccccc2C(O)c2ccccc2S1(=O)=O- InChIKey
UOFSLQBECAIORT-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.06161445
Names & identifiers
- Preferred name
- Dibenzo(c,f)(1,2)thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide
- IUPAC
- 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
- English name
- 6,11-Dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-ol 5,5-Dioxide
- Molecular formula
- C14H13NO3S
- Molecular weight
- 275.32
Names & synonyms
26638-56-26,11-Dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-ol 5,5-dioxideDibenzo(c,f)(1,2)thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide6,11-Dihydro-11-hydroxy-6-methyl-dibenzo(c,f)(1,2)thiazepine S,S-dioxideRefChem:3372086,11-Dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-ol 5,5-Dioxide6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol11-hydroxy-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxideTianeptine Impurity 12SCHEMBL19194596DTXSID50949470AKOS030254612
Show more names
Tianeptine-009Tianeptine Impurity 13Dibenzo[c,f][1,2]thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide5,11-Dihydro-10,10-dioxo-5-hydroxy-11-Methyldibenzo[c,f][1,2]thiazepine
Dibenzo[c,f][1,2]thiazepin-11-ol,6,11-dihydro-6-methyl-, 5,5-dioxideDB-30691011-Hydroxy-6-methyl-6,11-dihydro-5H-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione
Database identifiers
- CAS
26638-56-2- PubChem CID
- 213534
- DTXSID
DTXSID50949470
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 138 · 138-139 °C(Solv: 1-propanol (71-23-8))
- Boiling point
- 455.2 · 455.2±47.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- solubility
- Methanol
- form
- Solid
- pka
- 12.81 · 12.81±0.20(Predicted)
- color
- White
Chemistry & industry
Applications
UsesReagent used in the synthesis of Dibenzo[c,f][1,2]thiazepine derivatives
Uses6,11-Dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-ol 5,5-Dioxide is a reagent used in the synthesis of Dibenzo[c,f][1,2]thiazepine
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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