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Heterocyclic building blocks

Thiobarbituric acid

Also known as 2-Thiobarbituric acid, Bathyran, Austranal

CAS 504-17-6Formula C4H4N2O2SMolar mass 144.16 g/molEC 207-985-8
GHS signal word: Warning. Pictograms: Harmful or irritant 39 suppliers listed
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Thiobarbituric acid chemical structure, C4H4N2O2S, CAS 504-17-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
504-17-6
Formula
C4H4N2O2S
Molar mass
144.16 g/mol
EC number
207-985-8
HS code
293359
Category
Heterocyclic building blocks

What is Thiobarbituric acid?

Plain description, key identifiers and synonyms

2-thiobarbituric acid is a barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. It has a role as a reagent and an allergen.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-sulfanylidene-1,3-diazinane-4,6-dione
CAS number
504-17-6 CAS number cross-checked
EC number
207-985-8
Molecular formula
C4H4N2O2S
UNII
M1YZW5SS7C
MDL number
MFCD00006674
InChIKey
RVBUGGBMJDPOST-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
SMILES (canonical and isomeric)
C1C(=O)NC(=S)NC1=O

Synonyms

  • 2-Thiobarbituric acid
  • Bathyran
  • Austranal
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-
  • 2-Mercaptobarbituric acid
  • 2-sulfanylidene-1,3-diazinane-4,6-dione
  • Barbituric acid, 2-thio-
  • Dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • 2-Mercapto-4,6-dihydroxypyrimidine
  • 2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
  • 2-thioxodihydropyrimidine-4,6(1H,5H)-dione
  • 4,6-Dihydroxy-2-thiopyrimidine
  • 2-Thio-4,6-dioxypyrimidine
  • USAF EK-660
  • Thiobarbiturate
  • Thiobarbituric
  • 4,6(1H,5H)-Pyrimidinedione, 2-mercapto-
  • Hexahydropyrimidine-4,6-dione-2-thione
  • 1,2,3,4,5,6-Hexahydro-4,6-dioxopyrimidine-2-thione
  • 2-thioxohexahydropyrimidine-4,6-dione
  • 2-Thiobarbituric Acid (1mg/ml in Acetonitrile)
  • 2-Mercapto-4,6-dihydroxypyrimidine (VAN)
  • Barbituric acid, 2-thio- (VAN)
  • 4,6-Dihydroxy-2-mercaptopyrimidine, Hexahydropyrimidine-4,6-dione-2-thione, 2-Thio-4,6-dioxypyrimidine, NSC 4733,
  • 2-thiopyrimidine-4,6-diol
Show all 36 synonyms
  • TBA (2-thiobarbituric acid)
  • 2-Thiobarbituric acid, >=98%
  • Rvbuggbmjdpost-uhfffaoysa-
  • 2-mercapto-pyrimidine-4,6-dione
  • 2-sulfanyl-1H-pyrimidine-4,6-dione
  • 4,5H)-Pyrimidinedione, 2-mercapto-
  • 4,5H)-Pyrimidinedione, dihydro-2-thioxo-
  • 2-Thiobarbituric acid, purum, >=98.0% (S)
  • 2-thioxo-dihydropyrimidine-4,6(1H,5H)-dione
  • 2-Thioxodihydro-4,6(1H,5H)-pyrimidinedione #
  • 2-Thiobarbituric Acid (1 mg/ml in Acetonitrile)

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
144.16 g/molcalc.
Exact mass
143.9993 Dacalc.
LogP (octanol/water)
-1.09calc.
Topological polar surface area
58.2 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
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. This chemical is the scaffold itself.

144 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Thiobarbituric acid suppliers

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All 39 suppliers
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Where suppliers are based

39 suppliers in 12 countries

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Thiobarbituric acid 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

Roles

  • aetiopathogenetic role
  • allergen
  • reagent

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thiobarbituric acid 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 Thiobarbituric acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thiobarbituric acid, based on the data on this page

What is Thiobarbituric acid?

2-thiobarbituric acid is a barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. It has a role as a reagent and an allergen.

What is the CAS number of Thiobarbituric acid?

The CAS registry number of Thiobarbituric acid is 504-17-6.

What is the molecular formula and weight of Thiobarbituric acid?

The molecular formula of Thiobarbituric acid is C4H4N2O2S and its molar mass is 144.16 g/mol.

What is Thiobarbituric acid used for?

Known uses and roles of Thiobarbituric acid include building blocks in research and laboratory, screening compounds in research and laboratory, aetiopathogenetic role, allergen and reagent.

Is Thiobarbituric acid hazardous?

Thiobarbituric acid carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thiobarbituric acid?

Thiobarbituric acid is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ringโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiobarbituric acid?

CompoundList lists 39 suppliers of Thiobarbituric acid in China, United States, India, Hong Kong and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Thiobarbituric acid in India?

3 suppliers in India list Thiobarbituric acid on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Thiobarbituric acid?

Suppliers quote Thiobarbituric acid 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 Thiobarbituric acid

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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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