Basic information
- CAS
66968-72-7- Standard SMILES
C=CC(C)C1(CC)C(=O)[N-]C(=S)NC1=O.[Na+]- InChIKey
YJMJZPKLCAFRND-UHFFFAOYSA-M- Molecular formula
- C10H13N2NaO2S
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.05954312
Overview
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Names & identifiers
- Preferred name
- 5-Ethyl-5-(1-methylallyl)-2-thiobarbituric acid sodium salt
- IUPAC
- sodium 5-but-3-en-2-yl-5-ethyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
Names & synonyms
5-Ethyl-5-(1-methylallyl)-2-thiobarbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(1-METHYLALLYL)-2-THIO-, SODIUM SALT
Database identifiers
- CAS
66968-72-7- PubChem CID
- 23716010
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
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Compound notes
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