Basic information
- Standard SMILES
CS(=O)(=O)OCc1cncnc1- InChIKey
FOMJVJVVZVGYMS-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3S
- Average molar mass
- 188.21 g/mol
- Monoisotopic mass
- 188.0255633
Names & identifiers
- Preferred name
- Methanesulfonic acid pyrimidin-5-ylmethyl ester
- IUPAC
- pyrimidin-5-ylmethyl methanesulfonate
Names & synonyms
SCHEMBL3250839FOMJVJVVZVGYMS-UHFFFAOYSA-Npyrimidin-5-ylmethyl methanesulfonateDB-107749Methanesulfonic acid pyrimidin-5-ylmethyl ester920023-38-7
Database identifiers
- PubChem CID
- 86610239
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
9 records
Compound notes
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