60743-07-9

Basic information

• Product Name: 1,3-Dithietan-1,1-dioxide
• Synonyms: 1,3-Dithietan-1,1-dioxide
• CAS NO: 60743-07-9
• Molecular Formula: C₂H₄O₂S₂
• Molecular Weight: 124.18
• Mol File: 60743-07-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 140-142 °C(Solv: ethanol (64-17-5))
• Boiling Point: 399.6°C at 760 mmHg
• Flash Point: 195.5°C
• Appearance: /
• Density: 1.612g/cm³
• Vapor Pressure: 3.12E-06mmHg at 25°C
• Refractive Index: 1.592
• CAS DataBase Reference: 1,3-Dithietan-1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dithietan-1,1-dioxide(60743-07-9)
• EPA Substance Registry System: 1,3-Dithietan-1,1-dioxide(60743-07-9)

Safety Data

• Hazardous Substances Data: 60743-07-9(Hazardous Substances Data)

Usage

Type of compound

Cyclic organic compound

Physical state at room temperature

Colorless liquid

Primary use

Building block in organic synthesis

Application

Precursor in the preparation of various compounds

Usage

Reactive intermediate in the production of pharmaceuticals and agrochemicals

Potential applications

Materials science and nanotechnology

InChI:InChI=1/C2H4O2S2/c3-6(4)1-5-2-6/h1-2H2

Upstream product

• 58816-63-0 1,3-dithietane 1-oxide 

Downstream Products

• 60743-10-4 1,3-dithietane 1,1,3-trioxide 
• 21511-46-6 2,2,4,4-Tetrahydro-1,3-dithietan-1,1,3,3-tetroxid 
• 420-12-2 thirane 

Relevant articles and documents

Synthesis and Thermal Decomposition of 1,3-Dithietane and Its S-Oxides

Syntheses of 1,3-dithietane (1), 1,3-dithietane 1-oxide (2), 1,3-dithietane 1,1-dioxide (3), cis-1,3-dithietane 1,3-dioxide (4), trans-1,3-dithietane 1,3-dioxide (5), and 1,3-dithietane 1,1,3-trioxide (6) are reported for the first time.These compounds are converted in high yield to the previously described sulfene dimer 1,3-dithietane 1,1,3,3-tetraoxide (7).The structures of 2 and 7 are found to be respectively puckered (by microwave spectroscopy) and planar (by X-ray crystallography).Spectroscopic and physical data are discussed (photoelectron (PE) and NMR spectros copy, pKa values, oxidation potentials) along with some data on base-catalyzed H/D exchange.The PE spectra are assigned using MO models on different levels, including PNO/CEPA for thioformaldehyde (CH2S).Thermal decomposition is investigated using three independent methods: mass, microwave, and PE spectroscopy.Two types of decomposition channels are observed: retro 2+2 and retro 3+1.Among others, species like thioformaldehyde and sulfine (CH2SO, thioformaldehyde S-oxide) are produced.They are characterized by their microwave structure as well as by their PE ionization patterns and IR spectra.