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Heterocyclic building blocks

Pyrazinethiocarboxamide

Also known as pyrazine-2-carbothioamide, Pyrazinecarbothioamide, Pyrazinecarboxamide, thio-

CAS 4604-72-2Formula C5H5N3SMolar mass 139.18 g/molEC 662-901-0
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 3 suppliers listed
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Pyrazinethiocarboxamide chemical structure, C5H5N3S, CAS 4604-72-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4604-72-2
Formula
C5H5N3S
Molar mass
139.18 g/mol
EC number
662-901-0
HS code
293399
Category
Heterocyclic building blocks

What is Pyrazinethiocarboxamide?

Plain description, key identifiers and synonyms

Pyrazinethiocarboxamide is a chemical substance with the molecular formula C5H5N3S and a molar mass of 139.18 g/mol. Its CAS registry number is 4604-72-2. The IUPAC name is pyrazine-2-carbothioamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pyrazine-2-carbothioamide
CAS number
4604-72-2 CAS number cross-checked
EC number
662-901-0
Molecular formula
C5H5N3S
UNII
JI046KHA6S
MDL number
MFCD00173663
InChIKey
LIURPUMROGYCLW-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
SMILES (canonical and isomeric)
C1=CN=C(C=N1)C(=S)N

Synonyms

  • pyrazine-2-carbothioamide
  • Pyrazinecarbothioamide
  • Pyrazinecarboxamide, thio-
  • 2-Pyrazinecarbothioamide
  • 2-Pyrazinethiocarboxamide
  • Pyrazinecarboxylic acid thioamide
  • 5-25-04-00191 (Beilstein Handbook Reference)
  • Pyrazinecarbothioamide (9CI)
  • Pyrazine-2-thiocarboxamide
  • Thiopyrazinamide
  • Pyrazine-2-thio Carboxamide
  • pyrazine carbothioamide
  • Pyrazine thiocarboxamide
  • pyrazine-2-carboximidothioic acid
  • aminopyrazin-2-ylmethane-1-thione
  • Pyrazine-2-thiocarboxamide, 97%

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
139.18 g/molcalc.
Exact mass
139.0204 Dacalc.
LogP (octanol/water)
0.11calc.
Topological polar surface area
51.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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, c1cnccn1

c1cnccn1

1 ring, 6 atoms, the Pyrazine ring system.

6,118 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (23)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • 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.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash 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

Pyrazinethiocarboxamide suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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Pyrazinethiocarboxamide 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

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 Pyrazinethiocarboxamide is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pyrazinethiocarboxamide, based on the data on this page

What is Pyrazinethiocarboxamide?

Pyrazinethiocarboxamide is a chemical substance with the molecular formula C5H5N3S and a molar mass of 139.18 g/mol. Its CAS registry number is 4604-72-2. The IUPAC name is pyrazine-2-carbothioamide.

What is the CAS number of Pyrazinethiocarboxamide?

The CAS registry number of Pyrazinethiocarboxamide is 4604-72-2.

What is the molecular formula and weight of Pyrazinethiocarboxamide?

The molecular formula of Pyrazinethiocarboxamide is C5H5N3S and its molar mass is 139.18 g/mol.

What is Pyrazinethiocarboxamide used for?

Known uses and roles of Pyrazinethiocarboxamide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pyrazinethiocarboxamide hazardous?

Pyrazinethiocarboxamide carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pyrazinethiocarboxamide?

Pyrazinethiocarboxamide is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyrazinethiocarboxamide?

CompoundList lists 3 suppliers of Pyrazinethiocarboxamide in China, Germany and Russia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pyrazinethiocarboxamide?

Suppliers quote Pyrazinethiocarboxamide 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 Pyrazinethiocarboxamide

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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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