Sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Basic information
- CAS
67114-25-4- Standard SMILES
CCCC(C)C1(CSCC)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
NXDWGJVDDCVPFZ-UHFFFAOYSA-M- Molecular formula
- C12H19N2NaO2S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07856448
Overview
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Names & identifiers
- Preferred name
- Sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
- IUPAC
- sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Database identifiers
- CAS
67114-25-4- PubChem CID
- 23716074
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
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Compound notes
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