Basic information
- CAS
62268-37-5- Standard SMILES
O=S1(=O)C(Cl)=C(N2CCCC2)c2ccccc21- InChIKey
IMJDQIRGKZGWFD-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2S
- Average molar mass
- 269.75 g/mol
- Monoisotopic mass
- 269.0277275
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2-chloro-3-(1-pyrrolidinyl)-, 1,1-dioxide
- IUPAC
- 2-chloro-3-pyrrolidin-1-yl-1-benzothiophene 1,1-dioxide
Names & synonyms
62268-37-52-Chloro-3-(1-pyrrolidinyl)benzo(b)thiophene 1,1-dioxideBENZO(b)THIOPHENE, 2-CHLORO-3-(1-PYRROLIDINYL)-, 1,1-DIOXIDEDTXSID60211332RefChem:326187DTXCID601338232-Chloro-3-(pyrrolidin-1-yl)-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
62268-37-5- PubChem CID
- 43974
- DTXSID
DTXSID60211332
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…