2,3,4,5-Tetraethylbenzenesulfonic acid
Basic information
- CAS
4681-81-6- Standard SMILES
CCc1cc(S(=O)(=O)O)c(CC)c(CC)c1CC- InChIKey
AWGGIJYSRXKZPF-UHFFFAOYSA-N- Molecular formula
- C14H22O3S
- Average molar mass
- 270.39 g/mol
- Monoisotopic mass
- 270.12896573
Names & identifiers
- Preferred name
- 2,3,4,5-Tetraethylbenzenesulfonic acid
- IUPAC
- 2,3,4,5-tetraethylbenzenesulfonic acid
Names & synonyms
2,3,4,5-tetraethylbenzenesulfonic acid4681-81-6NSC143565SCHEMBL2863381DTXSID70301455NSC-143565DS-0034862,3,4,5-Tetraethylbenzene-1-sulfonic acid
Database identifiers
- CAS
4681-81-6- PubChem CID
- 285909
- DTXSID
DTXSID70301455
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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