5687-92-3

Basic information

• Product Name: Thietane-1,1-dioxide
• Synonyms: Thietane-1,1-dioxide;Trimethylene sulfone
• CAS NO: 5687-92-3
• Molecular Formula: C₃H₆O₂S
• Molecular Weight: 106.14354
• Mol File: 5687-92-3.mol
• Article Data: 13

Chemical Properties

• Melting Point: 72.0 to 76.0 °C
• Boiling Point: 180°C/30mmHg(lit.)
• Flash Point: 402.5°C
• Appearance: /solid
• Density: 1.210 (estimate)
• Refractive Index: 1.5156
• CAS DataBase Reference: Thietane-1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: Thietane-1,1-dioxide(5687-92-3)
• EPA Substance Registry System: Thietane-1,1-dioxide(5687-92-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 5687-92-3(Hazardous Substances Data)

Usage

General Description

Thietane-1,1-dioxide, also known as tetrahydrothiophene 1,1-dioxide, is a chemical compound with the formula C4H8O2S. It is a heterocyclic organic compound containing a four-membered ring with one oxygen and one sulfur atom. Thietane-1,1-dioxide is a colorless, flammable liquid with a boiling point of 98-100°C. It is primarily used as a solvent and a starting material in the synthesis of other organic compounds. Thietane-1,1-dioxide has also been studied for its potential applications in pharmaceuticals and agrochemicals. Due to its ring strain and unique structural properties, thietane-1,1-dioxide is of interest in the field of organic chemistry.

Upstream product

• 13153-11-2 thietane 1-oxide 
• 503-30-0 trimethylene oxide 
• 287-27-4 trimethylene sulphide 
• 85069-70-1 3-Thietanone 1,1-dioxide trimethylene dithioketal 

Downstream Products

• 67966-89-6 2-phenylthiaetane-S,S-dioxide 

Relevant articles and documents

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COMPOUNDS AS GLP-1R AGONISTS

The present application provides compounds that may be used as a glucagon-like peptide-1 receptors (GLP-1R) agonist, or stereoisomers, tautomers, or pharmaceutically acceptable salts of any of the foregoing. Also provided are pharmaceutical compositions containing such compounds, or stereoisomers, tautomers, or pharmaceutically acceptable salts of any of the foregoing. Methods of prepare these compounds and compositions and method of using them to treat or present a disease or a condition mediated by GLP-1R.

A kinetic investigation, supported by theoretical calculations, of steric and ring strain effects on the oxidation of sulfides and sulfoxides by dimethyldioxirane in acetone

The oxidations of alkyl 4-nitrophenyl, and dialkyl, sulfides and sulfoxides by dimethyldioxirane in acetone occur by concerted mechanisms but the sulfides respond differently from the sulfoxides to variation in the alkyl group. The reactions of the sulfides are inhibited by the steric effects of alkyl groups and these predominate over their inductive effects. By contrast, the reactions of these limited sets of sulfoxides are insensitive to alkyl steric effects but there is an indication of steric acceleration when a broader set of sulfoxides is considered. This behaviour is rationalised in terms of the differences in dipolar charge and its solvation between the ground state and transition state for the two types of substrate. The oxidations of cyclic sulfides and sulfoxides also exhibit contrasting behaviour. The reactivity of the sulfides is insensitive to ring strain but is explicable in frontier orbital terms whereas that of the sulfoxides is partly dependent upon the change in ring strain between reactant and product on oxidation, a difference rationalised in terms of the relative positions of the transition states in the reaction coordinates of the two oxidations. The reactivity of 4-, 5- and 6-membered cyclic sulfoxides is also dependent on a ring-size related property of the transition state. Calculations at the B3-LYP/6-31G* level of density functional theory on both ground states and transition states, including simulation of solvation by acetone, strongly support the mechanistic conclusions reached in this and earlier work.