Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCc2cncnc2)cc1- InChIKey
AERFGBRWNPCCDY-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3S
- Average molar mass
- 264.3 g/mol
Names & identifiers
- Preferred name
- Pyrimidin-5-ylmethyl 4-methylbenzenesulfonate
- IUPAC
- pyrimidin-5-ylmethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL1856447AERFGBRWNPCCDY-UHFFFAOYSA-Npyrimidin-5-ylmethyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86644145
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
Loading…