5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione

Basic Information

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CAS Number

532-11-6

Molecular Formula

C10H8OS3

Molecular Weight

240.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

111°

Boiling Point

398.1°C at 760 mmHg

Flash Point

194.6 °C

Refractive Index

1.5080 (estimate)

SMILES

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COC1=CC=C(C=C1)C2=CC(=S)SS2

InChI

InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3

InChIKey

KYLIZBIRMBGUOP-UHFFFAOYSA-N

LogP

4.214690000000001

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

254

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Anethole trithione
Mucinol
C10H8OS3
3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-
DTXSID9046651
Tox21_112475
Tiotrifar
Anetholtrithion (JAN)
Tox21_112475_1
W-105762
OP2113
CHEMBL178862
AKOS015920023
5-(p-methoxyphenyl)-1,2-dithiol-3(3h)-thione
s4744
OP-2113
Trithioanethole
NCGC00167471-01
Sufralem
3-(p-anisyl)trithione
532-11-6
ANETHOLTRITHION, Anethole-trithione (Anetholtrithion)
HMS3715D09
3H-1,2-DITHIOLE-3-THIONE, 5-(p-METHOXYPHENYL)-
CCG-207967
5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione
Trithio-(p-methoxyphenyl)propene
SR-05000001483-2
5-19-05-00546 (Beilstein Handbook Reference)
3-(p-Methoxyphenyl)trithione
CS-4781

MDL Number

MFCD00129751

Customs Code

2930909090

FAQ

What is 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6)?

5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) is an organic sulfur compound with the chemical formula C10H12O2S2. It features a dithiole ring substituted with a methoxyphenyl group and exhibits properties typical of thione derivatives, such as reactivity in nucleophilic substitution reactions. The compound is often used as an intermediate in synthetic chemistry due to its structural versatility and functional group reactivity.

What are the main uses of 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6)?

5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds targeting oxidative stress. It also serves as an industrial reagent in the synthesis of heterocyclic compounds and materials science applications. Additionally, it is utilized in laboratory settings for its utility in chemical reactions involving sulfur-containing intermediates.

Is 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) safe?

5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) is generally considered safe when handled properly, but it requires standard safety precautions. As a chemical compound, it may pose risks if inhaled or contacted with skin, so protective equipment like gloves and goggles is recommended. Safety data sheets (SDS) should be consulted for detailed handling guidelines and toxicity information.

How should 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) be stored?

5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 532-11-6) should be stored in a sealed, cool, and dry container, away from light and incompatible materials. It is stable under normal storage conditions but may degrade in humid environments. Always maintain proper ventilation and store in a fire-safe location to ensure chemical stability and safety.