Basic information
- Standard SMILES
CC(=O)C=C1SCC(=NO)S1- InChIKey
MRXOSXOTVJMSJF-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S2
- Average molar mass
- 189.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Oxopropylidene)-4-oximino-1,3-dithiolane
- IUPAC
- 1-(4-hydroxyimino-1,3-dithiolan-2-ylidene)propan-2-one
Names & synonyms
SCHEMBL11548536MRXOSXOTVJMSJF-UHFFFAOYSA-N2-(2-Oxopropylidene)-4-oximino-1,3-dithiolane
Database identifiers
- PubChem CID
- 73769860
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 235
Related reactions
1 records
Compound notes
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