176037-45-9

Basic information

• Product Name: 4-(2-thioxo-1,3-dithiol-4-yl)benzonitrile
• Synonyms: 4-(2-thioxo-1,3-dithiol-4-yl)benzonitrile
• CAS NO: 176037-45-9
• Molecular Weight: 235.354
• Mol File: 176037-45-9.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 4-(2-thioxo-1,3-dithiol-4-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-thioxo-1,3-dithiol-4-yl)benzonitrile(176037-45-9)
• EPA Substance Registry System: 4-(2-thioxo-1,3-dithiol-4-yl)benzonitrile(176037-45-9)

Safety Data

• Hazardous Substances Data: 176037-45-9(Hazardous Substances Data)

Upstream product

• 75-15-0 carbon disulfide 
• 82894-99-3 4-(1,2,3-thiadiazol-4-yl)benzonitrile 
• 3058-39-7 4-iodobenzonitrile 
• 930-35-8 1,3-dithiol-2-thione 

Downstream Products

• 352526-07-9 [((p-cyanophenyl)-S₂C₂H)(bis-(diphenylphosphino)ethan)nickel(II)] 
• 352526-09-1 [((p-cyanophenyl)-S₂C₂H)(bis-(diphenylphosphino)ethan)palladium(II)] 

Relevant articles and documents

A hydrogen-bonded organic framework based on redox-active tri(dithiolylidene)cyclohexanetrione

Redox-active hexakis(4-carboxyphenyl) tri(dithiolylidene)cyclohexanetrione (CPDC) was synthesized. The CPDC-based porous framework, constructedviaanomalistic helical hydrogen-bonding, exhibites permanent porosity and photoconductivity.

Selective Metalation of 1,3-Dithiole-2-thiones: An Effective Preparation of New Symmetrically and Nonsymmetrically Tetraarylated Tetrathiafulvalenes

We report an efficient preparation of fully functionalized tetrathiafulvalene derivatives (TTF) with an extended π-system via a selective magnesiation of 1,3-dithiole-2-thiones (DTT) using 2,2,6,6-tetramethylpiperidin-1-ylmagnesium chloride-lithium chloride (TMPMgCl·LiCl); subsequent reaction with various electrophiles, such as halides, acid chlorides, allyl bromides, and aryl iodides, smoothly led to new mono- and difunctionalized 1,3-dithiole-2-thione derivatives. A triethyl phosphite mediated cross-coupling of the disubstituted 1,3-dithiole-2-thione derivatives with their oxygen analogues gave access to new symmetrically and nonsymmetrically tetraarylated tetrathiafulvalenes of interest as organic materials.