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CAS 1314936-03-2

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3-(1,1-Dimethylethyl)benzenecarbothioamide

Description:
3-(1,1-Dimethylethyl)benzenecarbothioamide is an organic compound characterized by its unique structure, which includes a benzene ring substituted with a carbothioamide group and a tert-butyl group (1,1-dimethylethyl). This compound typically exhibits properties associated with both aromatic and thioamide functionalities. The presence of the thioamide group suggests potential reactivity in nucleophilic addition reactions, while the aromatic benzene ring contributes to stability and hydrophobic characteristics. The tert-butyl substituent enhances steric hindrance, which can influence the compound's reactivity and interactions with other molecules. In terms of solubility, compounds of this nature are often more soluble in organic solvents than in water due to their hydrophobic nature. Additionally, the compound may exhibit specific biological activities, making it of interest in medicinal chemistry and material science. Its CAS number, 1314936-03-2, allows for precise identification and retrieval of information regarding its properties, safety data, and potential applications in various fields.
Formula:C11H15NS
InChI:InChI=1S/C11H15NS/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI key:InChIKey=VRVYIIASIHOGIN-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(C(N)=S)=CC=C1
Synonyms:
  • 3-(1,1-Dimethylethyl)benzenecarbothioamide
  • Benzenecarbothioamide, 3-(1,1-dimethylethyl)-
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