Basic information
- CAS
39775-27-4- Standard SMILES
O=S1(=O)C(Cl)=C(N2CC[NH2+]CC2)c2ccccc21.[Cl-]- InChIKey
GZSKDYKDCKRGKW-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2N2O2S
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.0153043
Names & identifiers
- Preferred name
- 2-Chloro-3-(piperazin-1-yl)-1H-1-benzothiophene-1,1-dione--hydrogen chloride (1/1)
- IUPAC
- 2-chloro-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride
Names & synonyms
39775-27-4DTXSID809603552-Chloro-3-(piperazin-1-yl)-1H-1-benzothiophene-1,1-dione--hydrogen chloride (1/1)RefChem:1062751DTXCID4013882152-Chloro-3-(1-piperazinyl)benzo(b)thiophene 1,1-dioxide hydrochlorideBENZO(b)THIOPHENE, 2-CHLORO-3-(1-PIPERAZINYL)-, 1,1-DIOXIDE, HYDROCHLORIDE
Database identifiers
- CAS
39775-27-4- PubChem CID
- 38341
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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