Basic information
- Standard SMILES
CCC(CC)COS(=O)(=O)c1ccc(C)cc1- InChIKey
XJZAAQSPQLHGDB-UHFFFAOYSA-N- Molecular formula
- C13H20O3S
- Average molar mass
- 256.36 g/mol
Names & identifiers
- Preferred name
- Toluene-4-sulfonic acid 2-ethylbutyl ester
- IUPAC
- 2-ethylbutyl 4-methylbenzenesulfonate
Names & synonyms
Toluene-4-sulfonic acid 2-ethylbutyl ester158937-75-82-ethylbutyl 4-methylbenzene-1-sulfonate2-ethylbutyl 4-methylbenzenesulfonateSCHEMBL780731XJZAAQSPQLHGDB-UHFFFAOYSA-NDB-409647EN300-7146427A1-32563
Database identifiers
- PubChem CID
- 54473552
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
3 records
Compound notes
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