Benzo(b)thiophene, 2-chloro-3-(4-methyl-1-piperazinyl)-, 1,1-dioxide
Basic information
- CAS
39775-23-0- Standard SMILES
CN1CCN(C2=C(Cl)S(=O)(=O)c3ccccc32)CC1- InChIKey
UKZFIYBEBOERJH-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2S
- Average molar mass
- 298.79 g/mol
- Monoisotopic mass
- 298.0542766
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2-chloro-3-(4-methyl-1-piperazinyl)-, 1,1-dioxide
- IUPAC
- 2-chloro-3-(4-methylpiperazin-1-yl)-1-benzothiophene 1,1-dioxide
Names & synonyms
BRN 0544440BENZO(b)THIOPHENE, 2-CHLORO-3-(4-METHYL-1-PIPERAZINYL)-, 1,1-DIOXIDE39775-23-0DTXSID801928512-Chloro-3-(4-methyl-1-piperazinyl)benzo(b)thiophene 1,1-dioxideRefChem:326190DTXCID201153422-Chloro-3-(4-methylpiperazin-1-yl)-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
39775-23-0- PubChem CID
- 38340
- DTXSID
DTXSID80192851
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 489
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Compound notes
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