Basic information
- CAS
67050-87-7- Standard SMILES
CCCCCSCC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
NBNFQBJIXDLPHC-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-(pentylthiomethyl)-, sodium salt
- IUPAC
- sodium 5-ethyl-5-(pentylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
5-Ethyl-5-(pentylthiomethyl)barbituric acid sodium saltSodium 5-ethyl-5-(pentylthiomethyl)barbiturateBARBITURIC ACID, 5-ETHYL-5-(PENTYLTHIOMETHYL)-, SODIUM SALT67050-87-7RefChem:320843
Database identifiers
- CAS
67050-87-7- PubChem CID
- 23716042
Properties
Computed structural properties
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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