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Sulfur and phosphorus compounds

Thioanisole

Also known as Methyl phenyl sulfide, Thioanisol, (Methylthio)benzene

CAS 100-68-5Formula C7H8SMolar mass 124.21 g/molEC 202-878-2
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 21 suppliers listed
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Thioanisole chemical structure, C7H8S, CAS 100-68-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
100-68-5
Formula
C7H8S
Molar mass
124.21 g/mol
EC number
202-878-2
HS code
293090
Category
Sulfur and phosphorus compounds

What is Thioanisole?

Plain description, key identifiers and synonyms

Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is a member of benzenes and an aryl sulfide. It is functionally related to a thiophenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methylsulfanylbenzene
CAS number
100-68-5 CAS number cross-checked
EC number
202-878-2
Molecular formula
C7H8S
UNII
BB4K737YF4
MDL number
MFCD00008559
InChIKey
HNKJADCVZUBCPG-UHFFFAOYSA-N
InChI
InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
SMILES (canonical and isomeric)
CSC1=CC=CC=C1

Synonyms

  • Methyl phenyl sulfide
  • Thioanisol
  • (Methylthio)benzene
  • Benzene, (methylthio)-
  • (Methylsulfanyl)benzene
  • Methylphenylsulfide
  • Phenylthiomethane
  • Phenyl methyl sulfide
  • (1-Thiaethyl)benzene
  • Methyl phenyl sulphide
  • Methylthiobenzene
  • Methyl phenylsulfide
  • Sulfide, methyl phenyl (6CI,8CI)
  • 1-Phenyl-1-thiaethane
  • methylsulfanylbenzene
  • Anisole, thio-
  • Methyl phenyl thioether
  • Sulfide, methyl phenyl
  • methylsulfanyl-benzene
  • Thioanisole, ReagentPlus(R), >=99%
  • methylphenyl sulfide
  • Methylmercaptobenzene
  • methyl(phenyl)sulfide
  • thioanisoie
  • thio-anisole
Show all 35 synonyms
  • phenylmethylsulfide
  • (methylthio)-benzene
  • methyl(phenyl)sulfane
  • methyl-phenyl-sulphide
  • (Methylsulfanyl)benzene #
  • (Methylthio)benzene, 9CI
  • Methyl phenyl sulfide, MPS
  • Thioanisole, analytical standard
  • Methyl phenyl sulfide, >=99%
  • Thioanisole, Vetec(TM) reagent grade, 98%

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
124.21 g/molcalc.
Exact mass
124.0347 Dacalc.
LogP (octanol/water)
2.41calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.14calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H411Toxic to aquatic life with long lasting effects.
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.
  • P273Avoid release to the environment.
  • 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.
  • 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.
  • P391Collect spillage.
  • 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

Thioanisole suppliers

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

All 21 suppliers
21 of 21 offers

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Where suppliers are based

21 suppliers in 6 countries

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Thioanisole 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

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

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 Thioanisole is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Thioanisole?

Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is a member of benzenes and an aryl sulfide. It is functionally related to a thiophenol.

What is the CAS number of Thioanisole?

The CAS registry number of Thioanisole is 100-68-5.

What is the molecular formula and weight of Thioanisole?

The molecular formula of Thioanisole is C7H8S and its molar mass is 124.21 g/mol.

What is Thioanisole used for?

Known uses and roles of Thioanisole include building blocks in research and laboratory, screening compounds in research and laboratory and flavouring and nutrient.

Is Thioanisole hazardous?

Thioanisole carries the GHS signal word "Warning". 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 Thioanisole?

Thioanisole is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thioanisole?

CompoundList lists 21 suppliers of Thioanisole in China, United States, Canada, Germany and 2 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 Thioanisole?

Suppliers quote Thioanisole 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 Thioanisole

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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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