1,2,4-Benzothiadiazepine, 2,5-dihydro-3-butyl-2-methyl-, 1,1-dioxide
Basic information
- CAS
46859-31-8- Standard SMILES
CCCCC1=NCc2ccccc2S(=O)(=O)N1C- InChIKey
OIHZOBXUMVXCAP-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2S
- Average molar mass
- 266.36 g/mol
- Monoisotopic mass
- 266.10889899
Names & identifiers
- Preferred name
- 1,2,4-Benzothiadiazepine, 2,5-dihydro-3-butyl-2-methyl-, 1,1-dioxide
- IUPAC
- 3-butyl-2-methyl-5H-1λ6,2,4-benzothiadiazepine 1,1-dioxide
- English name
- 3-Butyl-2,5-dihydro-2-methyl-1,2,4-benzothiadiazepine 1,1-dioxide
- Molecular weight
- 0
Names & synonyms
BRN 09965961,2,4-Benzothiadiazepine, 2,5-dihydro-3-butyl-2-methyl-, 1,1-dioxide46859-31-8DTXSID501969672,5-Dihydro-3-butyl-2-methyl-1,2,4-benzothiadiazepine, 1,1-dioxideRefChem:214886DTXCID901194583-Butyl-2-methyl-2,5-dihydro-1H-1lambda~6~,2,4-benzothiadiazepine-1,1-dione3-Butyl-2,5-dihydro-2-methyl-1,2,4-benzothiadiazepine 1,1-dioxide
Database identifiers
- CAS
46859-31-8- PubChem CID
- 206256
- DTXSID
DTXSID50196967
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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