18789-43-0

Basic information

• Product Name: 2-Methyl-1,3,2-dithiaphospholane-2-thione
• Synonyms: 2-Methyl-1,3,2-dithiaphospholane-2-thione
• CAS NO: 18789-43-0
• Molecular Formula: C3H7PS3
• Molecular Weight: 170.26
• Mol File: 18789-43-0.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Methyl-1,3,2-dithiaphospholane-2-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-1,3,2-dithiaphospholane-2-thione(18789-43-0)
• EPA Substance Registry System: 2-Methyl-1,3,2-dithiaphospholane-2-thione(18789-43-0)

Safety Data

• Hazardous Substances Data: 18789-43-0(Hazardous Substances Data)

Upstream product

• 540-63-6 ethane-1,2-dithiol 
• 676-98-2 methylphosphonothioic dichloride 
• 107-07-3 2-chloro-ethanol 
• 35437-28-6 2-methyl-[1,3,2]dithiaphospholane 

Relevant articles and documents

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2-Thioxo-1,3,2-dithiaphospholanes - Solid-state MAS NMR and crystal structure investigations as well as IGLO calculations of 31P shielding tensors

2-Thioxo-1,3,2-dithiaphospholanes with P-substituents R = Me, Et, i-Pr, t-Bu, Ph, 3,5-Me2C6H3, and 4-MeOC6H4 were prepared and characterized by solution and high resolution solid-stale 31P and 13C NMR spectroscopy. The influence of different alkyl and aryl substituents at the phosphorus atom on the anisotropy of 31P chemical shift and on the molecular structure is discussed. The orientation of the principal axes with respect to the molecular frame is predicted from the solid-state 31P NMR results. Quantum chemical calculations of the 31P shielding tensors hy the IGLO method confirm these results. The crystal structures of 2-tert-butyl-2-thioxo-1,3,2-dithiaphospholane and 2-(3,5-dimethylphenyl)-2-thioxo-1,3,2-dithiaphospholane are presented and discussed.