1402215-09-1

Basic information

• Product Name: C₁₃H₂₂S₅
• Synonyms: C₁₃H₂₂S₅
• CAS NO: 1402215-09-1
• Molecular Weight: 338.648
• Mol File: 1402215-09-1.mol

Chemical Properties

• CAS DataBase Reference: C₁₃H₂₂S₅(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₂₂S₅(1402215-09-1)
• EPA Substance Registry System: C₁₃H₂₂S₅(1402215-09-1)

Safety Data

• Hazardous Substances Data: 1402215-09-1(Hazardous Substances Data)

Upstream product

• 68494-08-6 4,5-bis(benzoylthio)-1,3-dithiole-2-thione 
• 10422-35-2 1-bromo-2-methyl-butane 

Relevant articles and documents

Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the non-cyclic SR family

Three nickel-bisdithiolene-based compounds were synthesized and characterized by X-ray single crystal (for two of them), electrochemical and spectroscopic analyses. A minor change in the alkyl chain structure surrounding the nickel-bisdithiolene core induces dramatic changes in molecular packing: complex 1 crystallizes in a triclinic (P1) space group while complex 3 crystallizes in a monoclinic (C2/c) space group. No such differences are to be noted concerning electrochemical or spectroscopic characteristics, the alkyl chains induce no influence on electronic parameters. Furthermore, theoretical calculations were conducted to obtain theoretical insight of the behaviour of the complexes. The three complexes were investigated by DFT calculations using the PBE0 functional.