1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
Basic information
- CAS
56302-26-2- Standard SMILES
Cn1c([N+](=O)[O-])cnc1S(C)=O- InChIKey
YBIPBBWDWQXYBD-UHFFFAOYSA-N- Molecular formula
- C5H7N3O3S
- Average molar mass
- 189.2 g/mol
- Monoisotopic mass
- 189.02081227
Names & identifiers
- Preferred name
- 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
- IUPAC
- 1-methyl-2-methylsulfinyl-5-nitroimidazole
- English name
- Asatra impurity D 1-methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
- Molecular formula
- C5H7N3O3S
- Molecular weight
- 189.19
Names & synonyms
1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole56302-26-21H-Imidazole, 1-methyl-2-(methylsulfinyl)-5-nitro-NSC326158SCHEMBL11583400DTXSID70318109NSC-3261581-methyl-2-methylsulfinyl-5-nitro-imidazole2-(Methanesulfinyl)-1-methyl-5-nitro-1H-imidazoleAsatra impurity D 1-methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
Database identifiers
- CAS
56302-26-2- PubChem CID
- 331697
- DTXSID
DTXSID70318109- Nikkaji
- J693.921J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 430.7 · 430.7±37.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- -2.23 · -2.23±0.25(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…