CAS 25697-57-8

3-Chlorothioanisole

Description:

3-Chlorothioanisole, with the CAS number 25697-57-8, is an organic compound characterized by the presence of a chlorinated aromatic ring and a thioether functional group. It features a chloromethyl group attached to the third position of a thioanisole structure, which consists of a sulfur atom bonded to a methyl group and an aromatic ring. This compound is typically a colorless to pale yellow liquid with a distinctive odor, often described as having a sulfurous or musty scent. It is moderately soluble in organic solvents and exhibits low solubility in water due to its hydrophobic nature. 3-Chlorothioanisole is known for its applications in the synthesis of various chemical intermediates and may also be studied for its potential biological activities. As with many chlorinated compounds, it is important to handle 3-chlorothioanisole with care, as it may pose environmental and health risks if not managed properly. Proper safety measures should be taken when working with this substance in laboratory or industrial settings.

Formula: C₇H₇ClS

InChI: InChI=1S/C7H7ClS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

InChI key: InChIKey=KDLSTBYZKATUIM-UHFFFAOYSA-N

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

Synonyms:

• (3-Chlorophenyl)methanethiol
• (3-Chlorophenyl)methyl mercaptan
• (m-Chlorophenyl)methanethiol
• 1-Chloro-3-(Methylsulfanyl)Benzene
• 3-Chlorobenzenemethanethiol
• 3-Chlorobenzyl mercaptan
• 3-Chlorophenyl methyl sulphide
• 3-Chlorotoluene-α-thiol
• Benzenemethanethiol, 3-chloro-
• α-Toluenethiol, m-chloro-

(3-Chlorophenyl)methanethiol

CAS: 25697-57-8

(3-Chlorophenyl)methanethiol

Purity: ≥95%

Molecular weight: 158.65g/mol

Ref: 54-OR51961

(3-Chlorophenyl)methanethiol

CAS: 25697-57-8

Formula: C₇H₇ClS

Purity: 97.0%

Molecular weight: 158.64

Ref: 10-F396949

(3-Chlorophenyl)methanethiol

CAS: 25697-57-8

3-Chlorophenylmethanethiol (3CPMS) is a delocalized molecule with a planar conformation. It has a resonance structure and can be found in the crystal structure of benzene. The hybridization of 3CPMS is sp2, which means that it is planar and has two electron pairs on each carbon atom. 3CPMS has the ability to form bonds with other molecules through hydrogen bonding or through the formation of covalent bonds with other molecules.

Formula: C₇H₇ClS

Purity: Min. 95%

Molecular weight: 158.65 g/mol

Ref: 3D-ABA69757