CAS 2227-62-5
:3-bromobenzenecarbothioamide
Description:
3-Bromobenzenecarbothioamide, with the CAS number 2227-62-5, is an organic compound characterized by the presence of a bromine atom attached to a benzene ring, 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 organic synthesis. The bromine substituent on the benzene ring enhances the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, the presence of the thiocarbonyl group can facilitate interactions with biological systems, suggesting potential applications in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its properties, such as melting point, boiling point, and reactivity, can vary based on the specific conditions and the presence of other functional groups in a reaction environment. Overall, 3-bromobenzenecarbothioamide is a versatile compound with significance in both synthetic and biological chemistry.
Formula:C7H6BrNS
InChI:InChI=1/C7H6BrNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
SMILES:c1cc(cc(c1)Br)C(=N)S
Synonyms:- Benzenecarbothioamide, 3-bromo-
- 3-Bromobenzenecarbothioamide
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Found 4 products.
3-Bromobenzenecarbothioamide
CAS:<p>3-Bromobenzenecarbothioamide is a molecule that is used in the study of the conformations of molecules. It has been shown to have conformational polymorphism, which means that 3-Bromobenzenecarbothioamide can exist as two or more different conformations. A single crystal x-ray diffraction study was conducted and it showed that 3-Bromobenzenecarbothioamide has two different crystalline forms, one of which is a stable form. The other form is less stable, with a higher energy barrier for rotation about the central carbon atom and a lower energy barrier for rotation about the terminal carbon atom. This makes this form more susceptible to photometric changes and less stable than the other form.</p>Formula:C7H6BrNSPurity:Min. 95%Molecular weight:216.1 g/mol
