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4,4'-Dimethoxythiobenzophenone chemical structure, C15H14O2S, CAS 958-80-5
2D chemical structure

Key facts

What buyers check first

CAS number
958-80-5
Formula
C15H14O2S
Molar mass
258.34 g/mol
EC number
213-489-2
HS code
293090
Category
Aromatic building blocks

What is 4,4'-Dimethoxythiobenzophenone?

Plain description, key identifiers and synonyms

4,4'-Dimethoxythiobenzophenone is a chemical substance with the molecular formula C15H14O2S and a molar mass of 258.34 g/mol. Its CAS registry number is 958-80-5. The IUPAC name is bis(4-methoxyphenyl)methanethione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis(4-methoxyphenyl)methanethione
CAS number
958-80-5 CAS number cross-checked
EC number
213-489-2
Molecular formula
C15H14O2S
UNII
5E2QWM2PN7
InChIKey
TUKGAYSGFQWDBC-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2S/c1-16-13-7-3-11(4-8-13)15(18)12-5-9-14(17-2)10-6-12/h3-10H,1-2H3
SMILES (canonical and isomeric)
COC1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)OC

Synonyms

  • Bis(4-methoxyphenyl)methanethione
  • Methanethione, bis(4-methoxyphenyl)-
  • Di-p-Anisyl thioketone
  • p,p'-Dimethoxythiobenzophenone
  • Benzophenone, 4,4'-dimethoxythio-
  • Benzophenone,4'-dimethoxythio-
  • Bis(4-methoxyphenyl)methanethione #

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
258.34 g/molcalc.
Exact mass
258.0715 Dacalc.
LogP (octanol/water)
3.47calc.
Topological polar surface area
18.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
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, S=C(c1ccccc1)c1ccccc1

S=C(c1ccccc1)c1ccccc1

2 rings, 14 atoms, the Thiobenzophenone ring system.

31 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H335May cause respiratory irritation.
  • H400Very toxic to aquatic life.
Precautionary statements (23)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse 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).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403Store in a well-ventilated place.
  • 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

4,4'-Dimethoxythiobenzophenone suppliers

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4,4'-Dimethoxythiobenzophenone 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

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 4,4'-Dimethoxythiobenzophenone 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 4,4'-Dimethoxythiobenzophenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4,4'-Dimethoxythiobenzophenone, based on the data on this page

What is 4,4'-Dimethoxythiobenzophenone?

4,4'-Dimethoxythiobenzophenone is a chemical substance with the molecular formula C15H14O2S and a molar mass of 258.34 g/mol. Its CAS registry number is 958-80-5. The IUPAC name is bis(4-methoxyphenyl)methanethione.

What is the CAS number of 4,4'-Dimethoxythiobenzophenone?

The CAS registry number of 4,4'-Dimethoxythiobenzophenone is 958-80-5.

What is the molecular formula and weight of 4,4'-Dimethoxythiobenzophenone?

The molecular formula of 4,4'-Dimethoxythiobenzophenone is C15H14O2S and its molar mass is 258.34 g/mol.

What is 4,4'-Dimethoxythiobenzophenone used for?

Known uses and roles of 4,4'-Dimethoxythiobenzophenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4,4'-Dimethoxythiobenzophenone hazardous?

4,4'-Dimethoxythiobenzophenone carries the GHS signal word "Danger". Main hazards: causes skin irritation, causes serious eye damage, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4,4'-Dimethoxythiobenzophenone?

4,4'-Dimethoxythiobenzophenone 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 4,4'-Dimethoxythiobenzophenone?

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What is the price of 4,4'-Dimethoxythiobenzophenone?

Suppliers quote 4,4'-Dimethoxythiobenzophenone 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 4,4'-Dimethoxythiobenzophenone

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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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