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CAS 19241-24-8

:

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

Description:
1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene, also known as p-tert-butylphenyl isothiocyanate, is an organic compound characterized by the presence of both a phenyl group and an isothiocyanate functional group. This compound features a tert-butyl group attached to the para position of the benzene ring, which contributes to its hydrophobic nature and influences its reactivity. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The compound is typically a yellowish liquid or solid at room temperature and is soluble in organic solvents but has limited solubility in water. Its reactivity allows it to participate in nucleophilic substitution reactions, making it useful in synthetic organic chemistry. Additionally, due to its isothiocyanate group, it can react with amines and alcohols, forming thioureas and thiocarbamates, respectively. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C11H13NS
InChI:InChI=1/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
InChI key:InChIKey=OCGNNCBNRBTUCG-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC=C(N=C=S)C=C1
Synonyms:
  • 1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene
  • 1-Tert-Butyl-4-Isothiocyanatobenzene
  • 4-(tert-Butyl)phenyl isothiocyanate
  • Benzene, 1-(1,1-dimethylethyl)-4-isothiocyanato-
  • Isothiocyanic acid, p-tert-butylphenyl ester
  • p-tert-Butylphenyl isothiocyanate
  • 4-tert-Butylphenyl isothiocyanate
  • RARECHEM AQ A4 0120
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