Barbituric acid, 5-isopentyl-5-(1-methylallyl)-2-thio-, sodium salt
Basic information
- CAS
67114-28-7- Standard SMILES
C=CC(C)C1(CCC(C)C)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
ISPNQPUFBCJAGE-UHFFFAOYSA-M- Molecular formula
- C13H19N2NaO2S
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.10649331
Names & identifiers
- Preferred name
- Barbituric acid, 5-isopentyl-5-(1-methylallyl)-2-thio-, sodium salt
- IUPAC
- sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Names & synonyms
BARBITURIC ACID, 5-ISOPENTYL-5-(1-METHYLALLYL)-2-THIO-, SODIUM SALT67114-28-7RefChem:10777015-Isopentyl-5-(1-methylallyl)-2-thiobarbituric acid sodium salt
Database identifiers
- CAS
67114-28-7- PubChem CID
- 23716077
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
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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