1-[2-[(5-Bromopentyl)oxy]ethyl]-4-(methylthio)benzene
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Basic information
- Standard SMILES
CSc1ccc(CCOCCCCCBr)cc1- InChIKey
VFNSZRQBZUOUOI-UHFFFAOYSA-N- Molecular formula
- C14H21BrOS
- Average molar mass
- 317.29 g/mol
- Monoisotopic mass
- 316.04965
Names & identifiers
- Preferred name
- 1-[2-[(5-Bromopentyl)oxy]ethyl]-4-(methylthio)benzene
- IUPAC
- 1-[2-(5-bromopentoxy)ethyl]-4-methylsulfanylbenzene
Names & synonyms
SCHEMBL10488711VFNSZRQBZUOUOI-UHFFFAOYSA-N1-[2-[(5-Bromopentyl)oxy]ethyl]-4-(methylthio)benzene
Database identifiers
- PubChem CID
- 20071386
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 170
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Related reactions
6 records
Compound notes
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