1,2,4-Benzothiadiazepine, 2,5-dihydro-2,3-dimethyl-, 1,1-dioxide
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Basic information
- CAS
46377-45-1- Standard SMILES
CC1=NCc2ccccc2S(=O)(=O)N1C- InChIKey
ZUXPQFYQCGDBHM-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.0619488
Names & identifiers
- Preferred name
- 1,2,4-Benzothiadiazepine, 2,5-dihydro-2,3-dimethyl-, 1,1-dioxide
- IUPAC
- 2,3-dimethyl-5H-1λ6,2,4-benzothiadiazepine 1,1-dioxide
- English name
- 2,5-Dihydro-2,3-dimethyl-1,2,4-benzothiadiazepine 1,1-dioxide
- Molecular formula
- C10H12N2O2S
- Molecular weight
- 224.28
Names & synonyms
BRN 098623946377-45-12,5-Dihydro-2,3-dimethyl-1,2,4-benzothiadiazepine 1,1-dioxide1,2,4-Benzothiadiazepine, 2,5-dihydro-2,3-dimethyl-, 1,1-dioxideDTXSID10196822RefChem:214879DTXCID501193132,3-Dimethyl-2,5-dihydro-1H-1lambda~6~,2,4-benzothiadiazepine-1,1-dione
Database identifiers
- CAS
46377-45-1- PubChem CID
- 206252
- DTXSID
DTXSID10196822
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 373.4 · 373.4±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -0.11 · -0.11±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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