CAS 61499-10-3

(4-Isothiocyanatobutyl)benzene

Description:

(4-Isothiocyanatobutyl)benzene, with the CAS number 61499-10-3, is an organic compound characterized by the presence of both a benzene ring and an isothiocyanate functional group. This compound features a butyl chain that connects the isothiocyanate group to the para position of the benzene ring. Isothiocyanates are known for their reactivity, particularly in nucleophilic substitution reactions, and can exhibit biological activity, including potential anticancer properties. The presence of the butyl chain influences the compound's solubility and reactivity, making it more hydrophobic compared to simpler isothiocyanates. Additionally, (4-Isothiocyanatobutyl)benzene may be utilized in various chemical syntheses and research applications, particularly in the fields of medicinal chemistry and materials science. Its unique structure allows for potential interactions with biological systems, which can be explored for therapeutic purposes. Safety data should be consulted when handling this compound, as isothiocyanates can be irritants and may pose health risks.

Formula: C₁₁H₁₃NS

InChI: InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

InChI key: InChIKey=CCBQOLFAKKAMLD-UHFFFAOYSA-N

SMILES: C(CCCN=C=S)C1=CC=CC=C1

Synonyms:

• (4-Isothiocyanatobutyl)Benzene
• Benzene, (4-isothiocyanatobutyl)-
• Phenylbutyl isothiocyanate
• 4-Phenylbutyl isothiocyanate

4-Phenylbutyl isothiocyanate

CAS: 61499-10-3

Molecular weight: 191.30

Ref: 7W-GP1361

4-Phenylbut-1-yl isothiocyanate

CAS: 61499-10-3

4-Phenylbut-1-yl isothiocyanate

Purity: ≥95%

Color and Shape: Liquid

Molecular weight: 191.29g/mol

Ref: 54-OR30162

4-Phenylbutyl Isothiocyanate

Controlled Product

CAS: 61499-10-3

Applications 4-Phenylbutyl isothiocyanate is an inducer of Phase II detoxifying enzymes.

Formula: C₁₁H₁₃NS

Color and Shape: Neat

Molecular weight: 191.29

Ref: TR-P319858