barbituric acid, 5-ethyl-5-(isopentylthiomethyl)-, sodium salt
Basic information
- CAS
66968-58-9- Standard SMILES
CCC1(CSCCC(C)C)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
FEPIWVFPNAQREZ-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-(isopentylthiomethyl)-, sodium salt
- IUPAC
- sodium 5-ethyl-5-(3-methylbutylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
Sodium 5-ethyl-5-(isopentylthiomethyl)barbiturate5-Ethyl-5-(isopentylthiomethyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(ISOPENTYLTHIOMETHYL)-, SODIUM SALT66968-58-9RefChem:320837
Database identifiers
- CAS
66968-58-9- PubChem CID
- 23716002
Properties
Computed structural properties
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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