Basic information
- Standard SMILES
CC(=O)OCc1cncn1S(=O)(=O)c1ccc(C)cc1- InChIKey
AXLRKQHOEWAMSP-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4S
- Average molar mass
- 294.33 g/mol
Names & identifiers
- Preferred name
- (1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetate
- IUPAC
- [3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate
Names & synonyms
NSC669598(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetateCHEMBL1986434SCHEMBL112724315-acetoxymethyl-1-tosylimidazoleAXLRKQHOEWAMSP-UHFFFAOYSA-N5-acetyloxymethyl-1-tosylimidazoleNSC-669598NCI60_024276[3-(p-tolylsulfonyl)imidazol-4-yl]methyl acetate
Database identifiers
- PubChem CID
- 382152
- ChEMBL
CHEMBL1986434
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Related reactions
4 records
Compound notes
Loading…