145025-50-9

Basic information

• Product Name: N-Benzyl-1,3,2-benzodithiazole S-oxide
• Synonyms: N-Benzyl-1,3,2-benzodithiazole S-oxide
• CAS NO: 145025-50-9
• Molecular Formula: C13H11NOS2
• Molecular Weight: 261.36254
• Mol File: 145025-50-9.mol

Chemical Properties

• Boiling Point: 475.5°Cat760mmHg
• Flash Point: 241.4°C
• Appearance: /
• Density: 1.46g/cm³
• Vapor Pressure: 3.31E-09mmHg at 25°C
• Refractive Index: 1.777
• CAS DataBase Reference: N-Benzyl-1,3,2-benzodithiazole S-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: N-Benzyl-1,3,2-benzodithiazole S-oxide(145025-50-9)
• EPA Substance Registry System: N-Benzyl-1,3,2-benzodithiazole S-oxide(145025-50-9)

Safety Data

• Hazardous Substances Data: 145025-50-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H11NOS2/c15-17-13-9-5-4-8-12(13)16-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2

Upstream product

• 155132-60-8 N-benzyl-1,3,2-benzodithiazole 
• 30818-49-6 benzene-1,2-bis(sulphenyl chloride) 
• 17534-15-5 Benzene-1,2-dithiol 

Relevant articles and documents

Enantiomerization kinetics studied by dynamic enantioselective liquid chromatography: Solvent, temperature and stationary phase effects on the rate of N-benzyl-1,3,2-benzodithiazole 1-oxide enantiomer interconversion

Enantiomerization of 1 was found to proceed ca. 10 times faster in hexane than in methanol. This has been attributed to the difference in ΔS? found in the respective solvents. The presence of a chiral HPLC stationary phase (Whelk-Ol) did not affect the rate of enantiomerization to any significant extent. The previously determined enantiomerization (by inversion of configuration) barrier of 2 using DHPLC (80 kJ mol-1), is thus considered correct, and not biased by the presence of the stationary phase.

Synthesis and Antifungal Activity of 1,3,2-Benzodithiazole S-Oxides

The preparation of 1,3,2-benzodithiazole S-oxide analogs exhibiting in vitro antifungal activity against several strains of Candida is described.For the preparation of derivatives bearing aromatic substituents, a novel electrophilic aromatic thiolation re

1,3,2-benzodithiazole-1-oxide compounds

Novel 1,3,2-benzodithiazole-1-oxides of formula (I) STR1 and their pharmaceutically acceptable salts are disclosed, wherein R1 is a substituent on the 4-, 5-, 6- or 7-position of the benzodithiazole nucleus selected from the group consisting of