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=1S/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: S=C=NC1=CC=C(C=C1)C(C)(C)C

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

4-tert-Butylphenyl Isothiocyanate

CAS: 19241-24-8

• Formula: C₁₁H₁₃NS
• Purity: >98.0%(GC)
• Color and Shape: White to Orange to Green powder to crystal
• Molecular weight: 191.29

Benzene, 1-(1,1-dimethylethyl)-4-isothiocyanato-

CAS: 19241-24-8

• Formula: C₁₁H₁₃NS
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 191.2926

4-(tert-Butyl)phenyl isothiocyanate

CAS: 19241-24-8

• Formula: C₁₁H₁₃NS
• Purity: By gc: 97.7% by area (Typical Value in Batch COA)
• Color and Shape: white low melting solid
• Molecular weight: 191.29g/mol

4-tert-Butylphenyl isothiocyanate

CAS: 19241-24-8

• Purity: 98.0%
• Color and Shape: Solid, Low Melting Solid
• Molecular weight: 191.2899932861328

4-tert-Butylphenyl isothiocyanate

CAS: 19241-24-8

Versatile small molecule scaffold

• Formula: C₁₁H₁₃NS
• Purity: Min. 95%
• Molecular weight: 191.29 g/mol