CymitQuimica logo

CAS 57774-77-3

:

4-(1,1-Dimethylethyl)benzenecarbothioamide

Description:
4-(1,1-Dimethylethyl)benzenecarbothioamide, identified by its CAS number 57774-77-3, is an organic compound characterized by the presence of a thiocarbonyl group (C=S) attached to a benzene ring, which is further substituted with a tert-butyl group (1,1-dimethylethyl). This compound typically exhibits properties associated with thioureas, including potential biological activity and reactivity due to the thiocarbonyl functional group. It is likely to be a solid at room temperature, with a relatively low solubility in water but good solubility in organic solvents, reflecting its hydrophobic tert-butyl substituent. The presence of the thiocarbonyl group may impart unique chemical reactivity, making it a candidate for various synthetic applications, including in the development of agrochemicals or pharmaceuticals. Additionally, the compound's structure suggests potential for hydrogen bonding and interactions with biological targets, which could be explored in medicinal chemistry contexts. As with many organic compounds, safety data should be consulted for handling and usage.
Formula:C11H15NS
InChI:InChI=1S/C11H15NS/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI key:InChIKey=HZODWYBXBKXJLB-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC=C(C(N)=S)C=C1
Synonyms:
  • 4-(1,1-Dimethylethyl)benzenecarbothioamide
  • 4-(tert-Butyl)thiobenzamide
  • 4-tert-Butylbenzenecarbothioamide
  • Benzenecarbothioamide, 4-(1,1-dimethylethyl)-
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.