Basic information
- CAS
67051-47-2- Standard SMILES
C=C(C)CC1(C(C)CCC)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
LECOUGPPOKQOPJ-UHFFFAOYSA-M- Molecular formula
- C13H19N2NaO2S
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.10649331
Overview
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Names & identifiers
- Preferred name
- 5-(2-Methylallyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt
- IUPAC
- sodium 5-(2-methylprop-2-enyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Names & synonyms
5-(2-Methylallyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt
Database identifiers
- CAS
67051-47-2- PubChem CID
- 23716062
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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