CAS 317319-15-6

3,5-Bis(trifluoromethyl)benzenecarbothioamide

Description:

3,5-Bis(trifluoromethyl)benzenecarbothioamide is an organic compound characterized by the presence of two trifluoromethyl groups attached to a benzene ring, along with a carbothioamide functional group. The trifluoromethyl groups contribute to the compound's high electronegativity and lipophilicity, which can influence its reactivity and interactions with biological systems. The carbothioamide moiety introduces a sulfur atom, which can participate in various chemical reactions, including nucleophilic attacks and coordination with metal ions. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its unique structure makes it of interest in various fields, including medicinal chemistry and materials science, where it may serve as a precursor for synthesizing more complex molecules or as a potential bioactive agent. Additionally, the presence of fluorine atoms often enhances the compound's metabolic stability and alters its pharmacokinetic properties, making it a subject of study in drug development.

Formula: C₉H₅F₆NS

InChI: InChI=1S/C9H5F6NS/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

InChI key: InChIKey=OWYYZIVORPIBPZ-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Bis(trifluoromethyl)benzene-1-carbothioamide
• 3,5-Bis(trifluoromethyl)benzenecarbothioamide
• 3,5-Bis(trifluoromethyl)benzothioamide
• 3,5-Di(Trifluoromethyl)Benzene-1-Carbothioamide
• Benzenecarbothioamide, 3,5-Bis(Trifluoromethyl)-

3,5-Bis(trifluoromethyl)thiobenzamide, 97%

CAS: 317319-15-6

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: C₉H₅F₆NS

Purity: 97%

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

Molecular weight: 273.20

Ref: 02-H26809

Benzenecarbothioamide, 3,5-bis(trifluoromethyl)-

CAS: 317319-15-6

Formula: C₉H₅F₆NS

Purity: 98%

Color and Shape: Solid

Molecular weight: 273.1981

Ref: IN-DA003IKH