barbituric acid, 5-ethyl-1-methyl-5-(propylthiomethyl)-, sodium salt
Basic information
- CAS
66968-98-7- Standard SMILES
CCCSCC1(CC)C(=O)[N-]C(=O)N(C)C1=O.[Na+]- InChIKey
SKWJQLUQFXKULN-UHFFFAOYSA-M- Molecular formula
- C11H17N2NaO3S
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.08575786
Names & identifiers
- Preferred name
- barbituric acid, 5-ethyl-1-methyl-5-(propylthiomethyl)-, sodium salt
- IUPAC
- sodium 5-ethyl-1-methyl-5-(propylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
Sodium 5-ethyl-1-methyl-5-(propylthiomethyl)barbiturate5-Ethyl-1-methyl-5-(propylthiomethyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-1-METHYL-5-(PROPYLTHIOMETHYL)-, SODIUM SALT66968-98-7RefChem:320803
Database identifiers
- CAS
66968-98-7- PubChem CID
- 23716017
Properties
Computed structural properties
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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