Methitural sodium

CAS

730-68-7

Catalog Number

ACM730687

Category

Other Products

Molecular Weight

310.411229 [g/mol]

Molecular Formula

C₁₂H₂₀N₂O₂S₂Na

MSDS COA Spec Sheet

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Specification

Synonyms

Methioturiate, Neraval, Thiobutal, Thiogenal, Sodium methiural, Methitural sodium, Methitural sodium salt, Sch 3132, EINECS 211-985-3, 5-(1-Methylbutyl)-5-(2-(methylthio)ethyl)-2-thiobarbituric acid sodium salt, Barbituric acid, 5-(1-methylbutyl)-5-(2-(methylthio)ethyl)-2-thio-, sodium salt, 467-43-6 (Parent), LS-24613, 730-68-7

IUPAC Name

sodium;5-(2-methylsulfanylethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione

Canonical SMILES

CCCC(C)C1(C(=O)NC(=S)N=C1[O-])CCSC.[Na+]

InChI Key

IPFUISOJBWATGQ-UHFFFAOYSA-M

EC Number

211-985-3

Exact Mass

311.08600

H-Bond Acceptor

H-Bond Donor