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In-can and dry-film biocides

Isothiazolin-3-one

Also known as 3-Isothiazolone, Isothiazol-3(2H)-one, 3(2H)-Isothiazolone

CAS 1003-07-2Formula C3H3NOSMolar mass 101.13 g/molEC 696-206-9
GHS signal word: Warning. Pictograms: Harmful or irritant 21 suppliers listed
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Isothiazolin-3-one chemical structure, C3H3NOS, CAS 1003-07-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1003-07-2
Formula
C3H3NOS
Molar mass
101.13 g/mol
EC number
696-206-9
HS code
293499
Category
In-can and dry-film biocides

What is Isothiazolin-3-one?

Plain description, key identifiers and synonyms

Isothiazolin-3-one is a chemical substance with the molecular formula C3H3NOS and a molar mass of 101.13 g/mol. Its CAS registry number is 1003-07-2. The IUPAC name is 1,2-thiazol-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2-thiazol-3-one
CAS number
1003-07-2 CAS number cross-checked
EC number
696-206-9
Molecular formula
C3H3NOS
UNII
E57JT172V7
MDL number
MFCD09834764
InChIKey
MGIYRDNGCNKGJU-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
SMILES (canonical and isomeric)
C1=CSNC1=O

Synonyms

  • 3-Isothiazolone
  • Isothiazol-3(2H)-one
  • 3(2H)-Isothiazolone
  • isothiazol-3-ol
  • Isothiazol-3-one
  • Isothiazolinone
  • 1,2-thiazol-3-one
  • Thiazol-3-one
  • 1,2-thiazol-3-ol
  • 3-Hydroxyisothiazole
  • 4-isothiazolin-3-one
  • 3-Oxo-2,3-dihydroisothiazole
  • 1,2-Thiazol-3(2H)-one
  • Isothiazol-3(2H), -one
  • isothiazol-3-ol, AldrichCPR
  • 2,3-dihydro-1,2-thiazol-3-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
101.13 g/molcalc.
Exact mass
100.9935 Dacalc.
LogP (octanol/water)
0.44calc.
Topological polar surface area
32.86 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
6calc.
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, O=c1ccs[nH]1

O=c1ccs[nH]1

1 ring, 6 atoms. This chemical is the scaffold itself.

97 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.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • 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.
  • 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.
  • 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

Isothiazolin-3-one suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 21 suppliers
21 of 21 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

21 suppliers in 5 countries

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Isothiazolin-3-one 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

Functional uses

  • Antioxidant
  • Biocide
  • Preservative

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 Isothiazolin-3-one 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 Isothiazolin-3-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isothiazolin-3-one, based on the data on this page

What is Isothiazolin-3-one?

Isothiazolin-3-one is a chemical substance with the molecular formula C3H3NOS and a molar mass of 101.13 g/mol. Its CAS registry number is 1003-07-2. The IUPAC name is 1,2-thiazol-3-one.

What is the CAS number of Isothiazolin-3-one?

The CAS registry number of Isothiazolin-3-one is 1003-07-2.

What is the molecular formula and weight of Isothiazolin-3-one?

The molecular formula of Isothiazolin-3-one is C3H3NOS and its molar mass is 101.13 g/mol.

What is Isothiazolin-3-one used for?

Known uses and roles of Isothiazolin-3-one include biocides in paints and coatings, preservatives in home care and cleaning, antioxidant, biocide and preservative.

Is Isothiazolin-3-one hazardous?

Isothiazolin-3-one carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isothiazolin-3-one?

Isothiazolin-3-one 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 Isothiazolin-3-one?

CompoundList lists 21 suppliers of Isothiazolin-3-one in China, United States, Canada, Egypt 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 Isothiazolin-3-one?

Suppliers quote Isothiazolin-3-one 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 Isothiazolin-3-one

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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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