Basic information
- Standard SMILES
CCOC(=O)C(CCSC)[N+](C)=c1sccs1- InChIKey
VHBJHPASOXSAKI-UHFFFAOYSA-N- Molecular formula
- C11H18NO2S3+
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.04996734
Names & identifiers
- Preferred name
- 1,3-Dithiol-2-ylidene-(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanium
- IUPAC
- 1,3-dithiol-2-ylidene-(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanium
Database identifiers
- PubChem CID
- 20144147
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 319
Related reactions
1 records
Compound notes
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