Basic information
- CAS
67050-00-4- Standard SMILES
C/C=C/CC1(CC)C(=O)N=C([S-])NC1=O.[Na+]- InChIKey
BZRPEZQPNXATNL-WGCWOXMQSA-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-(2-Butenyl)-5-ethyl-2-thiobarbituric acid sodium salt
- IUPAC
- sodium 5-[(E)-but-2-enyl]-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate
Names & synonyms
5-(2-Butenyl)-5-ethyl-2-thiobarbituric acid sodium saltNSC 125459
Database identifiers
- CAS
67050-00-4- PubChem CID
- 23716019
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
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Compound notes
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