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Heterocyclic compounds

Methitural sodium

Also known as Thiogenal, Methioturiate, Neraval

CAS 730-68-7Formula C12H19N2NaO2S2Molar mass 310.42 g/molEC 211-985-3
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Methitural sodium chemical structure, C12H19N2NaO2S2, CAS 730-68-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
730-68-7
Formula
C12H19N2NaO2S2
Molar mass
310.42 g/mol
EC number
211-985-3
HS code
293359
Category
Heterocyclic compounds

What is Methitural sodium?

Plain description, key identifiers and synonyms

Methitural sodium is a chemical substance with the molecular formula C12H19N2NaO2S2 and a molar mass of 310.42 g/mol. Its CAS registry number is 730-68-7. The IUPAC name is sodium 5-(2-methylsulfanylethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium 5-(2-methylsulfanylethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
CAS number
730-68-7 CAS number cross-checked
EC number
211-985-3
Molecular formula
C12H19N2NaO2S2
UNII
054NQ722GD
InChIKey
IPFUISOJBWATGQ-UHFFFAOYSA-M
InChI
InChI=1S/C12H20N2O2S2.Na/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1
SMILES (canonical and isomeric)
CCCC(C)C1(C(=O)NC(=S)[N-]C1=O)CCSC.[Na+]

Synonyms

  • Thiogenal
  • Methioturiate
  • Neraval
  • Sodium methiural
  • Methitural sodium salt
  • Thiobutal
  • Sch 3132
  • 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
  • 4,6(1H,5H)-pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-(methylthio)ethyl)-2-thioxo-, sodium salt (1:1)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
310.42 g/molcalc.
Exact mass
310.0786 Dacalc.
LogP (octanol/water)
-0.52calc.
Topological polar surface area
60.27 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CC(=O)NC(=S)N1

O=C1CC(=O)NC(=S)N1

1 ring, 9 atoms, the Thiobarbituric acid ring system.

144 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Methitural sodium suppliers

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Methitural sodium price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methitural sodium is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methitural sodium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methitural sodium, based on the data on this page

What is Methitural sodium?

Methitural sodium is a chemical substance with the molecular formula C12H19N2NaO2S2 and a molar mass of 310.42 g/mol. Its CAS registry number is 730-68-7. The IUPAC name is sodium 5-(2-methylsulfanylethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione.

What is the CAS number of Methitural sodium?

The CAS registry number of Methitural sodium is 730-68-7.

What is the molecular formula and weight of Methitural sodium?

The molecular formula of Methitural sodium is C12H19N2NaO2S2 and its molar mass is 310.42 g/mol.

Is Methitural sodium hazardous?

No GHS hazard classification for Methitural sodium is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Methitural sodium?

Methitural sodium is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methitural sodium?

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What is the price of Methitural sodium?

Suppliers quote Methitural sodium on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methitural sodium

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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