Sodium 5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Basic information
- CAS
67114-20-9- Standard SMILES
CCCCSC(C)C1(CCC)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
RJPREUGQRXGQIL-UHFFFAOYSA-M- Molecular formula
- C13H21N2NaO2S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09421455
Overview
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Names & identifiers
- Preferred name
- Sodium 5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
- IUPAC
- sodium 5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Database identifiers
- CAS
67114-20-9- PubChem CID
- 23716073
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
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Compound notes
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