Basic information
- CAS
39775-22-9- Standard SMILES
O=S1(=O)C(Cl)=C(N2CCNCC2)c2ccccc21- InChIKey
DVEGMMOBQSLKED-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2S
- Average molar mass
- 284.76 g/mol
- Monoisotopic mass
- 284.0386265
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide
- IUPAC
- 2-chloro-3-piperazin-1-yl-1-benzothiophene 1,1-dioxide
Names & synonyms
BRN 0541292BENZO(b)THIOPHENE, 2-CHLORO-3-(1-PIPERAZINYL)-, 1,1-DIOXIDE39775-22-92-Chloro-3-(1-piperazinyl)benzo(b)thiophene 1,1-dioxideDTXSID20192850RefChem:326186DTXCID601153412-Chloro-3-(piperazin-1-yl)-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
39775-22-9- PubChem CID
- 38339
- DTXSID
DTXSID20192850
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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