barbituric acid, 5-(ethylthiomethyl)-5-isobutyl-2-thio-, sodium salt

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Basic information

CAS: 67051-09-6
Standard SMILES: CCSCC1(CC(C)C)C(=O)[N-]C(=S)NC1=O.[Na+]
InChIKey: WYXJRCXYJVJPPX-UHFFFAOYSA-M
Molecular formula: C11H17N2NaO2S2
Average molar mass: 296.4 g/mol
Monoisotopic mass: 296.06291442

Names & identifiers

Preferred name: barbituric acid, 5-(ethylthiomethyl)-5-isobutyl-2-thio-, sodium salt
IUPAC: sodium 5-(ethylsulfanylmethyl)-5-(2-methylpropyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione

Names & synonyms

Sodium 5-(ethylthiomethyl)-5-isobutyl-2-thiobarbiturate5-(Ethylthiomethyl)-5-isobutyl-2-thiobarbituric acid sodium saltBARBITURIC ACID, 5-(ETHYLTHIOMETHYL)-5-ISOBUTYL-2-THIO-, SODIUM SALT67051-09-6RefChem:320719

Database identifiers

CAS: 67051-09-6
PubChem CID: 23716052

Properties

Computed structural properties

Topological polar surface area: 105 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 350

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