Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCc2ccc(C)nc2)cc1- InChIKey
LMNPAYKJOZJLRU-UHFFFAOYSA-N- Molecular formula
- C15H17NO3S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.09291458
Names & identifiers
- Preferred name
- 2-(6-Methylpyridin-3-yl)ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-(6-methyl-3-pyridinyl)ethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL121411LMNPAYKJOZJLRU-UHFFFAOYSA-N2-(6-methylpyridin-3-yl)ethyl 4-methylbenzenesulfonatetoluene-4-sulfonic acid 2-(6-methyl-pyridin-3-yl)-ethyl ester
Database identifiers
- PubChem CID
- 86658151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
31 records
Compound notes
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