Basic information
- CAS
141363-26-0- Standard SMILES
Cn1c([N+](=O)[O-])cnc1/C=C1/CCCS1(=O)=O- InChIKey
TUFUEZUDDMCWCX-ALCCZGGFSA-N- Molecular formula
- C9H11N3O4S
- Average molar mass
- 257.27 g/mol
- Monoisotopic mass
- 257.04702701
Names & identifiers
- Preferred name
- 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide
- IUPAC
- (2Z)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]thiolane 1,1-dioxide
Names & synonyms
2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide1H-Imidazole, 2-((dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-, S,S-dioxide141363-26-0
Database identifiers
- CAS
141363-26-0- PubChem CID
- 6444232
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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