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Heterocyclic building blocks

Thiadone

Also known as 5-(Trifluoromethyl)-1,3,4-thiadiazol-2(3H)-one, 1,3,4-Thiadiazol-2(3H)-one, 5-(trifluoromethyl)-, 5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one

CAS 84352-75-0Formula C3HF3N2OSMolar mass 170.12 g/molEC 857-297-2
GHS signal word: Warning. Pictograms: Harmful or irritant
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Thiadone chemical structure, C3HF3N2OS, CAS 84352-75-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84352-75-0
Formula
C3HF3N2OS
Molar mass
170.12 g/mol
EC number
857-297-2
HS code
293499
Category
Heterocyclic building blocks

What is Thiadone?

Plain description, key identifiers and synonyms

Thiadone is a chemical substance with the molecular formula C3HF3N2OS and a molar mass of 170.12 g/mol. Its CAS registry number is 84352-75-0. The IUPAC name is 5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one
CAS number
84352-75-0 CAS number cross-checked
EC number
857-297-2
Molecular formula
C3HF3N2OS
UNII
55MT39460B
MDL number
MFCD28987375
InChIKey
JFZSAWUKZISBJM-UHFFFAOYSA-N
InChI
InChI=1S/C3HF3N2OS/c4-3(5,6)1-7-8-2(9)10-1/h(H,8,9)
SMILES (canonical and isomeric)
C1(=NNC(=O)S1)C(F)(F)F

Synonyms

  • 5-(Trifluoromethyl)-1,3,4-thiadiazol-2(3H)-one
  • 1,3,4-Thiadiazol-2(3H)-one, 5-(trifluoromethyl)-
  • 5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one
  • 5-(trifluoromethyl)-1,3,4-thiadiazol-2-ol
  • M9, Flufenacet thiadone (AE 1258593)
  • 5-trifluoromethyl-1 ,3,4-thiadiazol-2(3 h)-one

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
170.12 g/molcalc.
Exact mass
169.9762 Dacalc.
LogP (octanol/water)
0.85calc.
Topological polar surface area
45.75 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
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=c1[nH]ncs1

O=c1[nH]ncs1

1 ring, 6 atoms, the 1,3,4-Thiadiazol-2-ol ring system.

70 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

Thiadone suppliers

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Thiadone 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

Use classes: Pesticide transformation products.

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 Thiadone is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Thiadone?

Thiadone is a chemical substance with the molecular formula C3HF3N2OS and a molar mass of 170.12 g/mol. Its CAS registry number is 84352-75-0. The IUPAC name is 5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one.

What is the CAS number of Thiadone?

The CAS registry number of Thiadone is 84352-75-0.

What is the molecular formula and weight of Thiadone?

The molecular formula of Thiadone is C3HF3N2OS and its molar mass is 170.12 g/mol.

What is Thiadone used for?

Use classes: Pesticide transformation products.

Is Thiadone hazardous?

Thiadone 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 Thiadone?

Thiadone is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiadone?

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What is the price of Thiadone?

Suppliers quote Thiadone 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 Thiadone

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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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