8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
Basic information
- CAS
105554-89-0- Standard SMILES
Nc1ccc2c(c1)NC(=O)c1ccccc1S2- InChIKey
QMOTTXDANOXDPK-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.05138412
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
- IUPAC
- 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one
- English name
- 8-amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
- Molecular formula
- C13H10N2OS
- Molecular weight
- 242.3
Names & synonyms
105554-89-08-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-oneADBTORefChem:1068878-Aminodibenzo(b,f)(1,4)thiazepin-11(10H)-one8-Aminodibenzo[b,f][1,4]thiazepin-11(10H)-oneBRN 5545706Dibenzo(b,f)(1,4)thiazepin-11(10H)-one, 8-amino-SCHEMBL17085948SCHEMBL29441713DTXSID909095938-Amino-10,11-dihydro-dibenzo(b,e)(1,4)thiazepin-11-one
Show more names
Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 8-amino-
ALBB-0333798-Aminodibenzo[b,f][1,4]thiazepin-11-ol
Database identifiers
- CAS
105554-89-0- PubChem CID
- 129054
- DTXSID
DTXSID90909593
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 280 °C · 280 °C (decomp)
- Boiling point
- 372.616 · 372.616±41.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.087 · 12.087±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…