Basic information
- Standard SMILES
COC(=O)C(C(C)=N)C(=S)NC(=O)Oc1ccccc1- InChIKey
PGIDFIVSKIPGQV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4S
- Average molar mass
- 294.33 g/mol
Names & identifiers
- Preferred name
- 3-imino-2-methoxycarbonyl-N-phenoxycarbonylthiobutyramide
- IUPAC
- methyl 3-imino-2-(phenoxycarbonylcarbamothioyl)butanoate
Names & synonyms
PGIDFIVSKIPGQV-UHFFFAOYSA-N3-imino-2-methoxycarbonyl-N-phenoxycarbonylthiobutyramide
Database identifiers
- PubChem CID
- 7826537
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
Loading…