Basic information
- CAS
67050-71-9- Standard SMILES
CCCCSCC1(CC)C(=O)[N-]C(=O)N(C)C1=O.[Na+]- InChIKey
ROYJLPXMYVYREP-UHFFFAOYSA-M- Molecular formula
- C12H19N2NaO3S
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.10140793
Names & identifiers
- Preferred name
- barbituric acid, 5-(butylthiomethyl)-5-ethyl-, sodium salt
- IUPAC
- sodium 5-(butylsulfanylmethyl)-5-ethyl-1-methylpyrimidin-3-ide-2,4,6-trione
Names & synonyms
Sodium 5-(butylthiomethyl)-5-ethylbarbiturate5-(Butylthiomethyl)-5-ethylbarbituric acid sodium saltBARBITURIC ACID, 5-(BUTYLTHIOMETHYL)-5-ETHYL-, SODIUM SALT67050-71-9RefChem:320705
Database identifiers
- CAS
67050-71-9- PubChem CID
- 23716031
Properties
Computed structural properties
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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