Basic information
- Standard SMILES
Cc1ccc(CCCCBr)s1- InChIKey
HNDQCEBIQVCFPJ-UHFFFAOYSA-N- Molecular formula
- C9H13BrS
- Average molar mass
- 233.17 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromobutyl)-5-methylthiophene
- IUPAC
- 2-(4-bromobutyl)-5-methylthiophene
Names & synonyms
2-(4-Bromobutyl)-5-methylthiopheneSCHEMBL81076362-(4-Bromobutyl)-5-methylthiophene #Thiophene, 2-methyl-5-[4-bromo-n-butyl]-
Database identifiers
- PubChem CID
- 573864
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Related reactions
2 records
Compound notes
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