CAS 2131-60-4

4-Isothiocyanatophenol

Description:

4-Isothiocyanatophenol, with the CAS number 2131-60-4, is an organic compound characterized by the presence of both an isothiocyanate group and a phenolic hydroxyl group. This compound typically appears as a solid and is known for its distinct reactivity due to the isothiocyanate functional group, which can participate in nucleophilic addition reactions. The phenolic hydroxyl group contributes to its potential as a ligand in coordination chemistry and may also influence its solubility and reactivity in various solvents. 4-Isothiocyanatophenol is often utilized in organic synthesis and as a reagent in biochemical applications, particularly in the study of proteins and enzymes. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Overall, 4-Isothiocyanatophenol is a versatile compound with applications in both research and industrial settings.

Formula: C₇H₅NOS

InChI: InChI=1S/C7H5NOS/c9-7-3-1-6(2-4-7)8-5-10/h1-4,9H

InChI key: InChIKey=HIPHYBWWZWRZOV-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC=C(O)C=C1

Synonyms:

• 4-Hydroxyphenyl isothiocyanate
• Isothiocyanic acid, p-hydroxyphenyl ester
• Phenol, 4-Isothiocyanato-
• p-Hydroxyphenyl isothiocyanate
• p-Isothiocyanatophenol
• 4-Isothiocyanatophenol
• 4-Isothiocyanatophenol

4-Isothiocyanatophenol

Controlled Product

CAS: 2131-60-4

Formula: C₇H₅NOS

Color and Shape: Neat

Molecular weight: 151.186

Ref: TR-I905688

4-Isothiocyanatophenol

CAS: 2131-60-4

4-Isothiocyanatophenol (4ITCP) is an anticancer agent that has been shown to inhibit the growth of cancer cells in vivo. It is a metabolite of etoposide, which is used to treat certain types of cancer. 4ITCP inhibits the growth of cancer cells by enhancing mitochondrial membrane potential and inhibiting cell proliferation. This compound also inhibits cell growth by binding to phenyl groups on proteins, including enzymes and structural proteins. 4ITCP has been shown to act as a prodrug in vivo, where it is converted into 4-nitrophenol before being activated. 4ITCP also has optical properties that can be detected using spectroscopy and fluorescence.

Formula: C₇H₅NOS

Purity: Min. 95%

Molecular weight: 151.19 g/mol

Ref: 3D-CAA13160