1-Butyl-4-isothiocyanatobenzene

CAS: 23165-44-8

Ref. 3D-FB122626

Product Information

• Name: 1-Butyl-4-isothiocyanatobenzene
• Synonyms: benzene, 1-butyl-4-isothiocyanato-, 1-Butyl-4-Isothiocyanatobenzene, 4-Butylphenyl isothiocyanate, Benzene, 1-butyl-4-isothiocyanato-, Isothiocyanic acid, p-butylphenyl ester, 4-n-Butylphenyl isothiocyanate

Description

1-Butyl-4-isothiocyanatobenzene (BTIC) is a chemosensor that has been shown to be functional and selective for the detection of M. tuberculosis, with a high sensitivity and specificity. BTIC is an unsymmetrical molecule that contains a dipole at its center, which makes it sensitive to changes in the environment. It can undergo reactions with other molecules and generate reactive oxygen species (ROS), which are bactericidal to M. tuberculosis cells. This molecule has been modified by substituting one of the hydrogen atoms with hydroxypropyl cellulose, which increases its stability in human blood serum and improves its selectivity for M. tuberculosis cells. The modification also prevents the molecule from reacting with other bacteria or mycolic acid, which may have been present in the sample. This modification decreases the fluorescence intensity of BTIC, but this decrease is more than compensated by the increase in stability and selectivity against false positives.

• Brand: Biosynth

Chemical properties

• Molecular weight: 191.29 g/mol
• Formula: C₁₁H₁₃NS
• Purity: Min. 95%
• InChI: InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3
• InChI key: InChIKey=PXVPXJHMTUKENZ-UHFFFAOYSA-N
• SMILES: CCCCc1ccc(N=C=S)cc1