barbituric acid, 5-ethyl-5-(1-(isopropylthio)propyl)-, sodium salt

HCID 23716006

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Basic information

CAS: 66968-66-9
Standard SMILES: CCC(SC(C)C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
InChIKey: LEEMGIZZVKJYKE-UHFFFAOYSA-M
Molecular formula: C12H19N2NaO3S
Average molar mass: 294.35 g/mol
Monoisotopic mass: 294.10140793

Names & identifiers

Preferred name: barbituric acid, 5-ethyl-5-(1-(isopropylthio)propyl)-, sodium salt
IUPAC: sodium 5-ethyl-5-(1-propan-2-ylsulfanylpropyl)pyrimidin-3-ide-2,4,6-trione

Names & synonyms

5-Ethyl-5-(1-(isopropylthio)propyl)barbituric acid sodium saltSodium 5-ethyl-5-(1-(isopropylthio)propyl)barbiturateBARBITURIC ACID, 5-ETHYL-5-(1-(ISOPROPYLTHIO)PROPYL)-, SODIUM SALT66968-66-9RefChem:320815

Database identifiers

CAS: 66968-66-9
PubChem CID: 23716006

Properties

Computed structural properties

Topological polar surface area: 89.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 376

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