5-(4-methylphenyl)-2-oxo-1H-imidazole-3-carbothioamide
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Basic information
- CAS
6794-41-8- Standard SMILES
Cc1ccc(-c2cn(C(N)=S)c(=O)[nH]2)cc1- InChIKey
KAWCYMQPYBXMLT-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.06228316
Names & identifiers
- Preferred name
- 5-(4-methylphenyl)-2-oxo-1H-imidazole-3-carbothioamide
- IUPAC
- 5-(4-methylphenyl)-2-oxo-1H-imidazole-3-carbothioamide
- English name
- 4-Imidazoline-1-carboxamide, 2-oxo-4-p-tolylthio- (7CI,8CI)
- Molecular formula
- C11H11N3OS
- Molecular weight
- 233.29
Names & synonyms
4-Imidazoline-1-carboxamide, 2-oxo-4-p-tolylthio- (7CI,8CI)1H-Imidazole-1-carbothioamide, 2,3-dihydro-4-(4-methylphenyl)-2-oxo-
Database identifiers
- CAS
6794-41-8- PubChem CID
- 71439681
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 258 · 258-259 °C
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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