Basic information
- CAS
3163-74-4- Standard SMILES
CCOC(=O)c1cc(=O)ss1- InChIKey
XAERYELABXMSKE-UHFFFAOYSA-N- Molecular formula
- C6H6O3S2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 189.9758364
Names & identifiers
- Preferred name
- Ethyl 5-oxodithiole-3-carboxylate
- IUPAC
- ethyl 5-oxodithiole-3-carboxylate
Names & synonyms
3163-74-4ethyl 5-oxodithiole-3-carboxylateNSC185351DTXSID90307015NSC-185351Ethyl 3-oxo-3H-1,2-dithiole-5-carboxylate
Database identifiers
- CAS
3163-74-4- PubChem CID
- 302256
- DTXSID
DTXSID90307015
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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