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Impurities and reference standards

Thioxanthene

Also known as 9H-Thioxanthene, Thioxanthine, Thiaxanthene

CAS 261-31-4Formula C13H10SMolar mass 198.29 g/molEC 205-972-1
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 3 suppliers listed
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Thioxanthene chemical structure, C13H10S, CAS 261-31-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
261-31-4
Formula
C13H10S
Molar mass
198.29 g/mol
EC number
205-972-1
HS code
293499
Category
Impurities and reference standards

What is Thioxanthene?

Plain description, key identifiers and synonyms

9H-thioxanthene is a thioxanthene that consists of a xanthene skeleton in which the oxygen atom is replaced by a sulfur atom.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
9H-thioxanthene
CAS number
261-31-4 CAS number cross-checked
EC number
205-972-1
Molecular formula
C13H10S
UNII
1J3P67894A
MDL number
MFCD00046936
INCI name
THIOXANTHINE
InChIKey
PQJUJGAVDBINPI-UHFFFAOYSA-N
InChI
InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
SMILES (canonical and isomeric)
C1C2=CC=CC=C2SC3=CC=CC=C31

Synonyms

  • 9H-Thioxanthene
  • Thioxanthine
  • Thiaxanthene
  • Thiaxanthen
  • Thioxanthen
  • Dibenzothiapyran
  • 10H-Dibenzo(b,e)thiin
  • 10H-dibenzo[b,e]thiin
  • Metixene EP Impurity A
  • 9H-thioxanthen
  • Thioxanthene CRS
  • 10H-dibenzo[b,e]thiopyran
  • Metixene Hydrochloride EP Impurity A
  • 9H-Thioxanthene, Metixene Hydrochloride Imp. A (EP), Metixene Hydrochloride Impurity A, Metixene Impurity A

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
198.29 g/molcalc.
Exact mass
198.0503 Dacalc.
LogP (octanol/water)
3.74calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.08calc.
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, c1ccc2c(c1)Cc1ccccc1S2

c1ccc2c(c1)Cc1ccccc1S2

3 rings, 14 atoms. This chemical is the scaffold itself.

72 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.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P391Collect spillage.
  • 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

Thioxanthene suppliers

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

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Thioxanthene price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Use classes: Cosmetics.

Cosmetic ingredient, INCI name THIOXANTHINE(antioxidant, hair conditioning)

Functional uses

  • Antioxidant
  • Pigment
  • Softener and conditioner

Cosmetic functions

  • Antioxidant
  • Hair conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thioxanthene 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 Thioxanthene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Thioxanthene?

9H-thioxanthene is a thioxanthene that consists of a xanthene skeleton in which the oxygen atom is replaced by a sulfur atom.

What is the CAS number of Thioxanthene?

The CAS registry number of Thioxanthene is 261-31-4.

What is the molecular formula and weight of Thioxanthene?

The molecular formula of Thioxanthene is C13H10S and its molar mass is 198.29 g/mol.

What is Thioxanthene used for?

Use classes: Cosmetics.

Is Thioxanthene hazardous?

Thioxanthene carries the GHS signal word "Warning". Main hazards: harmful if swallowed, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thioxanthene?

Thioxanthene 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 Thioxanthene?

CompoundList lists 3 suppliers of Thioxanthene in China and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Thioxanthene?

Suppliers quote Thioxanthene 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 Thioxanthene

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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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