Basic information
- Standard SMILES
CCCc1ccc(OCCC(C)C)cc1S- InChIKey
OMLPCLDXEWWBKN-UHFFFAOYSA-N- Molecular formula
- C14H22OS
- Average molar mass
- 238.39 g/mol
- Monoisotopic mass
- 238.13913649
Names & identifiers
- Preferred name
- 5-(3-Methylbutoxy)-2-propylthiophenol
- IUPAC
- 5-(3-methylbutoxy)-2-propylbenzenethiol
Names & synonyms
OMLPCLDXEWWBKN-UHFFFAOYSA-N5-(3-Methylbutoxy)-2-propylthiophenol
Database identifiers
- PubChem CID
- 21545985
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 182
Related reactions
4 records
Compound notes
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