1010833-06-3

Basic information

• Product Name: C₁₃H₁₃NO₃S
• Synonyms: C₁₃H₁₃NO₃S
• CAS NO: 1010833-06-3
• Molecular Weight: 263.317
• Mol File: 1010833-06-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₁₃H₁₃NO₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₁₃NO₃S(1010833-06-3)
• EPA Substance Registry System: C₁₃H₁₃NO₃S(1010833-06-3)

Safety Data

• Hazardous Substances Data: 1010833-06-3(Hazardous Substances Data)

Upstream product

• 540-72-7 sodium thiocyanide 
• 213999-88-3 methyl (2Z)-2-(bromomethyl)-3-(4-methoxyphenyl)prop-2-enoate 
• 1013631-83-8 C₁₂H₁₃BrO₃ 

Relevant articles and documents

Allylic thiocyanates as a new class of antitubercular agents

TB is a global public health emergency in which new drugs are desperately needed. Herein we report on the synthesis of a diverse panel of 41 aryl allylic azides, thiocyanates, isothiouronium salts, and N,N′-diacetylisothioureas that were evaluated for their in vitro activity against replicating and non-replicating Mycobacterium tuberculosis (Mtb) H37Rv and toxicity to VERO cells. We found a selective group of new and promising compounds having good (micromolar) to excellent (sub-micromolar) potency against replicating Mtb H37Rv. Allylic thiocyanates bearing halophenyl (halo = 2-Br, 4-Br, 4-Cl, 4-F), 4-methylphenyl and 2-naphthyl moieties were the most active as antitubercular agents. In particular, the 2-bromophenyl-substituted thiocyanate showed MIC = 0.25 μM against replicating Mtb, MIC = 8.0 μM against non-replicating Mtb and IC50 = 32 μM in the VERO cellular toxicity assay.