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Heterocyclic building blocks

Thionicotinamide

Also known as 3-Pyridinecarbothioamide, Nicotinothioamide, 3-Thioamidopyridine

CAS 4621-66-3Formula C6H6N2SMolar mass 138.20 g/molEC 225-036-6
GHS signal word: Warning. Pictograms: Harmful or irritant 5 suppliers listed
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Thionicotinamide chemical structure, C6H6N2S, CAS 4621-66-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4621-66-3
Formula
C6H6N2S
Molar mass
138.20 g/mol
EC number
225-036-6
HS code
293339
Category
Heterocyclic building blocks

What is Thionicotinamide?

Plain description, key identifiers and synonyms

Thionicotinamide is a chemical substance with the molecular formula C6H6N2S and a molar mass of 138.20 g/mol. Its CAS registry number is 4621-66-3. The IUPAC name is pyridine-3-carbothioamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pyridine-3-carbothioamide
CAS number
4621-66-3 CAS number cross-checked
EC number
225-036-6
Molecular formula
C6H6N2S
UNII
6A0HXX0753
MDL number
MFCD00006399
InChIKey
XQWBMZWDJAZPPX-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
SMILES (canonical and isomeric)
C1=CC(=CN=C1)C(=S)N

Synonyms

  • 3-Pyridinecarbothioamide
  • Nicotinothioamide
  • 3-Thioamidopyridine
  • 3-Thiocarbamoylpyridine
  • 3-Pyridinethiocarboxamide
  • 3-Pyridylthioformamide
  • Nicotinamide, thio-
  • Thio-3-pyridinecarboxamide
  • pyridine-3-carbothioamide
  • Amino-3-pyridylmethane-1-thione
  • Pyridine-3-carbothioic acid amide
  • 3-Pyridylthiocarboxamide
  • 5-22-02-00187 (Beilstein Handbook Reference)
  • pyridine-3-carboximidothioic acid
  • 3-(Aminothiocarbonyl)pyridine

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
138.20 g/molcalc.
Exact mass
138.0252 Dacalc.
LogP (octanol/water)
0.72calc.
Topological polar surface area
38.91 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
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, c1ccncc1

c1ccncc1

1 ring, 6 atoms, the Pyridine ring system.

118,162 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

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • 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.
  • 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.
  • 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.
  • 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

Thionicotinamide suppliers

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All 5 suppliers
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Where suppliers are based

5 suppliers in 5 countries

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Thionicotinamide 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

United States

  • TSCA inventory (USA)
    Status: Inactive 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 Thionicotinamide is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thionicotinamide?

Thionicotinamide is a chemical substance with the molecular formula C6H6N2S and a molar mass of 138.20 g/mol. Its CAS registry number is 4621-66-3. The IUPAC name is pyridine-3-carbothioamide.

What is the CAS number of Thionicotinamide?

The CAS registry number of Thionicotinamide is 4621-66-3.

What is the molecular formula and weight of Thionicotinamide?

The molecular formula of Thionicotinamide is C6H6N2S and its molar mass is 138.20 g/mol.

What is Thionicotinamide used for?

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

Is Thionicotinamide hazardous?

Thionicotinamide carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thionicotinamide?

Thionicotinamide is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thionicotinamide?

CompoundList lists 5 suppliers of Thionicotinamide in China, United Kingdom, Hong Kong, Russia and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Thionicotinamide?

Suppliers quote Thionicotinamide 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 Thionicotinamide

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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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