CAS 17231-94-6

3,5-Dichlorobenzenethiol

Description:

3,5-Dichlorobenzenethiol, with the CAS number 17231-94-6, is an organosulfur compound characterized by the presence of a thiol (-SH) group attached to a benzene ring that has two chlorine substituents at the 3 and 5 positions. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its distinct odor, which is often described as sulfurous or similar to that of rotten eggs. 3,5-Dichlorobenzenethiol is soluble in organic solvents but has limited solubility in water due to its hydrophobic aromatic structure. The presence of chlorine atoms enhances its reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in the production of agrochemicals and pharmaceuticals. Additionally, it exhibits potential biological activity, which may warrant further investigation in medicinal chemistry. As with many organosulfur compounds, it should be handled with care due to potential toxicity and environmental impact.

Formula: C₆H₄Cl₂S

InChI: InChI=1S/C6H4Cl2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChI key: InChIKey=WRXIPCQPHZMXOO-UHFFFAOYSA-N

SMILES: ClC1=CC(Cl)=CC(S)=C1

Synonyms:

• 3,5-Dichlorobenzene-1-thiol
• 3,5-Dichlorobenzenethiol
• 3,5-Dichlorobenzenthiol
• 3,5-Dichlorothiophenol
• Benzenethiol, 3,5-dichloro-
• Dichlorobenzenthiol

3,5-Dichlorobenzenethiol

CAS: 17231-94-6

Formula: C₆H₄Cl₂S

Purity: >97.0%(GC)

Color and Shape: White to Almost white powder to lump

Molecular weight: 179.06

Ref: 3B-D1905

3,5-Dichlorobenzenethiol

CAS: 17231-94-6

Formula: C₆H₄Cl₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 179.0670

Ref: IN-DA003ILQ

3,5-Dichlorothiophenol

CAS: 17231-94-6

3,5-Dichlorothiophenol

Formula: C₆H₄Cl₂S

Purity: 97%

Color and Shape: white crystalline solid

Molecular weight: 179.07g/mol

Ref: 54-OR0770

3,5-Dichlorothiophenol

CAS: 17231-94-6

Formula: C₆H₄Cl₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 179.06

Ref: 10-F003357

3,5-Dichlorothiophenol

CAS: 17231-94-6

3,5-Dichlorothiophenol is a potent inhibitor of the enzyme acetylcholinesterase. As an inhibitor of the enzyme, it blocks the breakdown of acetylcholine and leads to accumulation of acetylcholine at nerve endings. This can lead to death by asphyxiation. Acetylcholinesterase inhibitors such as 3,5-dichlorothiophenol are used in insecticides and chemical warfare agents. 3,5-Dichlorothiophenol has been shown to inhibit the enzyme acetycholinesterase in a dose-dependent manner in vitro with an IC50 of 8 μM. It has also been shown that 3,5-dichlorothiophenol can be used in surface-enhanced Raman spectroscopy (SERS) for detection of metal ions on surfaces.

Formula: C₆H₄Cl₂S

Purity: Min. 95%

Molecular weight: 179.07 g/mol

Ref: 3D-SAA23194