CAS 13735-12-1

6-Chlorothiochroman-4-one

Description:

6-Chlorothiochroman-4-one is a chemical compound characterized by its unique structure, which includes a thiochroman core with a chlorine substituent at the 6-position and a ketone functional group at the 4-position. This compound belongs to the class of thiochroman derivatives, which are known for their diverse biological activities and potential applications in medicinal chemistry. The presence of the chlorine atom can influence the compound's reactivity, solubility, and interaction with biological targets. Typically, thiochroman derivatives exhibit properties such as fluorescence, and they may participate in various chemical reactions, including nucleophilic substitutions and electrophilic additions. The compound's molecular structure contributes to its potential as a pharmacophore, making it a subject of interest in drug discovery and development. Additionally, its synthesis and characterization are important for understanding its behavior in different chemical environments and its potential therapeutic applications. As with many organic compounds, safety and handling precautions should be observed due to the presence of halogenated and sulfur-containing groups.

Formula: C₉H₇ClOS

InChI: InChI=1/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

SMILES: c1cc2c(cc1Cl)C(=O)CCS2

Synonyms:

• 6-Chloro-3,4-dihydro-2H-1-benzothiin-4-one
• 6-chloro-2,3-dihydro-4H-thiochromen-4-one

6-Chlorothiochroman-4-one, 98%

CAS: 13735-12-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₉H₇ClOS

Purity: 98%

Color and Shape: Yellow, Crystals or powder or crystalline powder

Molecular weight: 198.66

Ref: 02-A10304

6-Chlorothiochroman-4-one

CAS: 13735-12-1

Formula: C₉H₇ClOS

Purity: 98%

Color and Shape: Solid

Molecular weight: 198.6693

Ref: IN-DA003N72

6-Chlorothiochroman-4-one

CAS: 13735-12-1

6-Chlorothiochroman-4-one

Purity: 99%

Molecular weight: 198.67g/mol

Ref: 54-OR4320

6-chloro-2,3-dihydro-4H-thiochromen-4-one

CAS: 13735-12-1

Formula: C₉H₇ClOS

Purity: 98%

Color and Shape: Solid

Molecular weight: 198.66

Ref: 10-F349640

6-Chlorothiochroman-4-one

CAS: 13735-12-1

6-Chlorothiochroman-4-one is a heterocycle that has been synthesized and purified. It has shown to inhibit the growth of botrytis cinerea, a fungus that causes black rot on various plants. 6-Chlorothiochroman-4-one can be used as a starting material for the synthesis of other compounds with medicinal properties. The compound is also an excellent biomolecular probe for studying detoxification enzymes in natural products. The best yields were obtained by using acidic conditions, which led to the hydrolysis of the sulfide group to form the corresponding thiol. The optimal parameters for dehydrogenation are pH 2 and 40 ˚C. In vitro studies have shown that 6-chlorothiochroman-4-one inhibits angiogenesis in endothelial cells and is carcinogenic at high concentrations (>5 mM).

Formula: C₉H₇ClOS

Purity: Min. 95%

Molecular weight: 198.67 g/mol

Ref: 3D-NAA73512