5-(1-Methylallyl)-5-pentyl-2-thiobarbituric acid sodium salt
Basic information
- CAS
67051-52-9- Standard SMILES
C=CC(C)C1(CCCCC)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
GPNKDJXICLTJCQ-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-(1-Methylallyl)-5-pentyl-2-thiobarbituric acid sodium salt
- IUPAC
- sodium 5-but-3-en-2-yl-5-pentyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Names & synonyms
5-(1-Methylallyl)-5-pentyl-2-thiobarbituric acid sodium saltBARBITURIC ACID, 5-(1-METHYLALLYL)-5-PENTYL-2-THIO-, SODIUM SALT
Database identifiers
- CAS
67051-52-9- PubChem CID
- 23716063
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
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Compound notes
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