2-(2-Methyl-5-nitro-1-imidazolyl)ethyl methanesulfonate
Basic information
- CAS
30746-54-4- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCOS(C)(=O)=O- InChIKey
MBLJZGSJLSUHRO-UHFFFAOYSA-N- Molecular formula
- C7H11N3O5S
- Average molar mass
- 249.25 g/mol
- Monoisotopic mass
- 249.04194163
Overview
mesylated analog of metronidazole; structure
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl methanesulfonate
- IUPAC
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate
- English name
- 2-methyl-5-nitro-1H-imidazole-1-ethyl methanesulphonate
- Molecular formula
- C7H11N3O5S
- Molecular weight
- 249.24
Names & synonyms
30746-54-4My 40.20I4GTP10QU5MY-40.202-(2-Methyl-5-nitro-1-imidazolyl)ethyl methanesulfonateDTXSID801847712-Methyl-5-nitro-1H-imidazole-1-ethanol, methanesulfonate (ester)1-(Beta-methylsulfonyloxyethyl)-2-methyl-5-nitroimidazoleRefChem:909160DTXCID20107262250-323-82-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl methanesulfonate
Show more names
MY-40/202-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate2-Methyl-5-nitro-1H-imidazole-1-ethanol methanesulfonate
2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulphonate2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate2-(5-nitro-2-methyl-1-imidazolyl)ethyl methanesulfonate1H-IMIDAZOLE-1-ETHANOL, 2-METHYL-5-NITRO-, 1-METHANESULFONATEEINECS 250-323-8BRN 0542838MY 40/202-Methyl-5-nitroimidazole-1-ethanol methanesulfonate (ester)
Database identifiers
- CAS
30746-54-4
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 GTP10QU5 · I4GTP10QU5
Related reactions
3 records
Compound notes
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