Basic information
- Standard SMILES
O=S1(=O)CCc2ccc(CCCOCCCCCCBr)cc21- InChIKey
JUPAXADSQLUJJF-UHFFFAOYSA-N- Molecular formula
- C17H25BrO3S
- Average molar mass
- 389.3 g/mol
Names & identifiers
- Preferred name
- 6-{3-[(6-Bromohexyl)oxy]propyl}-2,3-dihydro-1-benzothiophene 1,1-dioxide
- IUPAC
- 6-[3-(6-bromohexoxy)propyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
Names & synonyms
SCHEMBL5447494JUPAXADSQLUJJF-UHFFFAOYSA-N6-{3-[(6-bromohexyl)oxy]propyl}-2,3-dihydro-1-benzothiophene 1,1-dioxide
Database identifiers
- PubChem CID
- 69445345
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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