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Impurities and reference standards

Benzothiazole

Also known as 1,3-Benzothiazole, Benzosulfonazole, 1-Thia-3-azaindene

CAS 95-16-9Formula C7H5NSMolar mass 135.19 g/molEC 202-396-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 79 suppliers listed
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Benzothiazole chemical structure, C7H5NS, CAS 95-16-9
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Yellow liquid
Melting point
2 °C
Boiling point
227 to 228
Density
1.246 AT 20 °C/4 °C
Solubility
SLIGHTLY SOL IN WATER, SOL IN ALC, CARBON DISULFIDE
HS code
293979
Category
Impurities and reference standards
Illustrative photo, pale yellow liquid in a glass bottle and beaker on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Benzothiazole?

Plain description, key identifiers and synonyms

Benzothiazole is an organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. It has a role as a xenobiotic, a plant metabolite and an environmental contaminant.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-benzothiazole
CAS number
95-16-9 CAS number cross-checkedOther or deprecated CAS: 80665-56-1
EC number
202-396-2
Molecular formula
C7H5NS
UNII
G5BW2593EP
MDL number
MFCD00005775
INCI name
BENZOTHIAZOLE
InChIKey
IOJUPLGTWVMSFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)N=CS2

Synonyms

  • 1,3-Benzothiazole
  • Benzosulfonazole
  • 1-Thia-3-azaindene
  • Vangard BT
  • USAF EK-4812
  • Benzo[d]thiazole
  • benzothiazol
  • BT
  • benzthiazole
  • s-benzothiazole
  • Benzothiazole, 96%
  • 1,3-Benzothiazole #
  • Benzothiazole (Standard)
  • 4-27-00-01069 (Beilstein Handbook Reference)
  • Benzothiazole, >=96%, FG
  • Benzothiazole, analytical standard
  • Ticlopidine hydrochloride Impurity 16
  • BOT
  • Benzothiazole Solution in Methanol, 100ug/mL
  • Benzothiazole, Vetec(TM) reagent grade, 96%
  • Benzothiazole Solution in Methanol, 1000?g/mL
  • Benzothiazole Solution in Methanol, 1000ug/mL

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

Appearance
Yellow liquidexp.
Odour
ODOR SIMILAR TO THAT OF QUINOLINEexp.
Melting point
2 °Cexp.
Boiling point
227 to 228exp.
Density
1.246 AT 20 °C/4 °Cexp.
Solubility
SLIGHTLY SOL IN WATER, SOL IN ALC, CARBON DISULFIDEexp.

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
135.19 g/molcalc.
Exact mass
135.0143 Dacalc.
LogP (octanol/water)
2.3calc.
Topological polar surface area
12.89 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
2calc.
Aromatic rings
2calc.
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, c1ccc2scnc2c1

c1ccc2scnc2c1

2 rings, 9 atoms. This chemical is the scaffold itself.

6,032 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301 + H311Toxic if swallowed. Toxic in contact with skin.
  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H311Toxic in contact with skin.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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 + P316If swallowed: Get emergency medical help immediately.
  • 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.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • 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

Benzothiazole suppliers

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

All 79 suppliers
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Where suppliers are based

79 suppliers in 12 countries

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Benzothiazole 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

Flavoring substance or adjuvant.

Rubber accelerator (thiazoles).

Antimicrobial agent.

Component of cyanine dyes.

Industrial uses: Processing aids not otherwise specified.

Consumer uses: Processing aids not otherwise specified.

Cosmetic ingredient, INCI name BENZOTHIAZOLE(perfuming)

Roles

  • environmental contaminant
  • eukaryotic metabolite
  • metabolite
  • plant metabolite
  • xenobiotic

Functional uses

  • Brightener
  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Prepd from n,n-dimethylaniline & sulfur: knowles, watt, j org chem 7, 56 (1942).

By refluxing mixt of zinc o-aminophenylsulfide & formic acid, followed by steam distillation of alkalized reaction mixt...by heating formanilid or dimethylaniline with sulfur...by oxidation of 2-mercaptobenzothiazole or of corresponding disulfide...

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

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 Benzothiazole is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Benzothiazole is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Benzothiazole?

Benzothiazole is an organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. It has a role as a xenobiotic, a plant metabolite and an environmental contaminant.

What is the CAS number of Benzothiazole?

The CAS registry number of Benzothiazole is 95-16-9. Other or deprecated CAS numbers: 80665-56-1.

What is the molecular formula and weight of Benzothiazole?

The molecular formula of Benzothiazole is C7H5NS and its molar mass is 135.19 g/mol.

What is Benzothiazole used for?

Flavoring substance or adjuvant. Rubber accelerator (thiazoles). Antimicrobial agent. Component of cyanine dyes. Industrial uses: Processing aids not otherwise specified. Consumer uses: Processing aids not otherwise specified.

Is Benzothiazole hazardous?

Benzothiazole carries the GHS signal word "Danger". Main hazards: toxic if swallowed. toxic in contact with skin, toxic if swallowed, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzothiazole?

Benzothiazole is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzothiazole?

CompoundList lists 79 suppliers of Benzothiazole in China, United States, Germany, United Kingdom 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 Benzothiazole in India?

1 supplier in India list Benzothiazole on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Benzothiazole?

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Guides for buyers

Practical guides that help when you source, ship or handle Benzothiazole

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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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