CAS 874791-10-3

3,5-Difluorobenzenecarbothioamide

Description:

3,5-Difluorobenzenecarbothioamide is an organic compound characterized by the presence of a benzene ring substituted with two fluorine atoms at the 3 and 5 positions, along with a carbothioamide functional group. This compound features a thiocarbonyl group (C=S) linked to an amine (NH2), which contributes to its reactivity and potential applications in various chemical reactions. The presence of fluorine atoms enhances the compound's lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The molecular structure allows for potential hydrogen bonding due to the amide functionality, which can affect its solubility and interaction with other molecules. Additionally, the compound may exhibit unique physical properties such as melting and boiling points, which are influenced by the fluorine substituents and the overall molecular geometry. Its CAS number, 874791-10-3, provides a unique identifier for regulatory and research purposes, facilitating its study in various chemical contexts.

Formula: C₇H₅F₂NS

InChI: InChI=1/C7H5F2NS/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)

InChI key: UVKMTQYRQXSOOI-UHFFFAOYSA-N

SMILES: C1=C(C=C(C=C1F)F)C(=S)N

Synonyms:

• Benzenecarbothioamide, 3,5-Difluoro-

3,5-Difluorothiobenzamide

CAS: 874791-10-3

3,5-Difluorothiobenzamide

Molecular weight: 173.1799927

Ref: 10-F951587

3,5-difluorobenzene-1-carbothioamide

CAS: 874791-10-3

3,5-difluorobenzene-1-carbothioamide

Formula: C₇H₅F₂NS

Purity: 95%

Molecular weight: 173.184489

Ref: 54-PC1047218

3,5-Difluorothiobenzamide

CAS: 874791-10-3

3,5-Difluorothiobenzamide is a spasmolytic agent. It inhibits the release of acetylcholine in the gastrointestinal tract and also blocks the binding of acetylcholine to muscarinic receptors in the ileum. 3,5-Difluorothiobenzamide has been used as an antispasmodic drug for treating gastrointestinal spasms and gas. It interacts with the amide group on certain terminal ileal preparations that contain sulfur. The sulfur atom on 3,5-difluorothiobenzamide interacts with the sulfhydryl group on these preparations, leading to inhibition of spasmolytic activity.

Formula: C₇H₅F₂NS

Purity: Min. 95%

Molecular weight: 173.18 g/mol

Ref: 3D-FD36174

3,5-difluorobenzene-1-carbothioamide

CAS: 874791-10-3

Formula: C₇H₅F₂NS

Color and Shape: Solid

Molecular weight: 173.1831

Ref: IN-DA004I6Q