Basic information
- Standard SMILES
Cn1cncc1/C=N/[S@](=O)C(C)(C)C- InChIKey
PWUMQXWVTUYOSB-JBNJFFQFSA-N- Molecular formula
- C9H15N3OS
- Average molar mass
- 213.3 g/mol
Names & identifiers
- Preferred name
- (NE,R)-2-methyl-N-[(3-methylimidazol-4-yl)methylidene]propane-2-sulfinamide
- IUPAC
- (NE,R)-2-methyl-N-[(3-methylimidazol-4-yl)methylidene]propane-2-sulfinamide
Database identifiers
- PubChem CID
- 89999199
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
2 records
Compound notes
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