2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[bis(methylthio)methylene]-
Basic information
- CAS
109480-64-0- Standard SMILES
CSC(SC)=C1C(=O)NC(=O)NC1=O- InChIKey
DJJUCEQHHGXTGX-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3S2
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 231.99763447
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[bis(methylthio)methylene]-
- IUPAC
- 5-[bis(methylsulfanyl)methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
109480-64-05-[bis(methylsulfanyl)methylidene]-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[bis(methylthio)methylene]-SCHEMBL19092936DTXSID40313722NSC275883NSC-2758832,6(1H,3H,5H)-Pyrimidinetrione, 5-[bis(methylthio)methylene]-
Database identifiers
- CAS
109480-64-0- PubChem CID
- 321822
- DTXSID
DTXSID40313722
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 310
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Related reactions
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Compound notes
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