Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
Basic information
- CAS
110578-98-8- Standard SMILES
Cc1nc(SCC(N)=O)c([N+](=O)[O-])[nH]1- InChIKey
JSWQHEXCIKNKBI-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3S
- Average molar mass
- 216.22 g/mol
- Monoisotopic mass
- 216.0317113
Names & identifiers
- Preferred name
- Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
- IUPAC
- 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetamide
Names & synonyms
110578-98-8BRN 5546818Acetamide, 2-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-DTXSID60149303RefChem:314342DTXCID6071794JSWQHEXCIKNKBI-UHFFFAOYSA-N(2-Methyl-4-nitroimidazol-5-thio)acetamide2-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetamide2-[(2-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetamideAcetamide, 2-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
Show more names
Acetamide, 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetamideOprea1_632806Oprea1_775352MLS000718212SCHEMBL5383040CHEMBL1369543HMS2729K21
Database identifiers
- CAS
110578-98-8- PubChem CID
- 535975
- DTXSID
DTXSID60149303- ChEMBL
CHEMBL1369543
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Solubility>32.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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