618-81-5

Basic information

• Product Name: 2-Thioxo-4-furfurylideneimidazolidine-5-one
• Synonyms: 2-Thioxo-4-furfurylideneimidazolidine-5-one;5-Furfural-2-thiohydantoin;5-Furfural-2-thioxoimidazolidin-4-one;5-Furfurylidene-2-thiohydantoin
• CAS NO: 618-81-5
• Molecular Formula: C8H6 N2 O2 S
• Molecular Weight: 194.2104
• Mol File: 618-81-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.48g/cm³
• Refractive Index: 1.691
• CAS DataBase Reference: 2-Thioxo-4-furfurylideneimidazolidine-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Thioxo-4-furfurylideneimidazolidine-5-one(618-81-5)
• EPA Substance Registry System: 2-Thioxo-4-furfurylideneimidazolidine-5-one(618-81-5)

Safety Data

• Hazardous Substances Data: 618-81-5(Hazardous Substances Data)

Usage

General Description

"2-Thioxo-4-furfurylideneimidazolidine-5-one" is a chemical compound with a unique structure and diverse properties. It is a heterocyclic compound containing both sulfur and nitrogen atoms, which gives it interesting chemical reactivity. 2-Thioxo-4-furfurylideneimidazolidine-5-one has been studied for potential applications in pharmaceuticals, agrochemicals, and materials science. Its thioxo and imidazolidine moieties make it a promising candidate for organic synthesis, and its furfuryl group adds potential for biological activity. Research on this compound is ongoing, and its potential uses and properties continue to be explored.

InChI:InChI=1/C8H6N2O2S/c11-7-6(9-8(13)10-7)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11,13)

Upstream product

• 98-01-1 furfural 
• 503-87-7 2-thiohydantoin 
• 577-47-9 1-benzoyl-2-thioxo-imidazolidin-4-one 
• 56-40-6 glycine 
• 37530-41-9 4-furfurylidene-2-thioxo-thiazolidin-5-one 
• 32085-04-4 3-acetyl-2-thioxoimidazolidin-4-one 
• 67449-75-6 ethyl (E)-2-cyano-3-(2-furyl)-2-propenoate 
• 3237-22-7 2-cyano-3-(2-furanyl)acrylonitrile 
• 684216-31-7 3-furan-2-yl-2-isothiocyanato acrylic acid ethyl ester 
• 138213-22-6 4-furfurylidene-2-methylsulfanyl-4H-thiazol-5-one 
• 7664-41-7 ammonia 
• 109547-79-7 C₂₇H₂₄NO₃P 

Relevant articles and documents

2,4-Imidazolinedione heterocyclic derivative, and preparation method and use thereof

The invention belongs to the field of chemical medicines, and concretely relates to a 2,4-imidazolinedione heterocyclic derivative, and a preparation method and a use thereof. The structure of the 2,4-imidazolinedione heterocyclic derivative is represented by formula I. The invention also provides the preparation method and the use of the 2,4-imidazolinedione heterocyclic derivative. The 2,4-imidazolinedione heterocyclic derivative has a good inhibition effect on Pim-1 protein kinase micro-molecules, and has important exploitation application prospect.

Privileged scaffolds or promiscuous binders: A comparative study on rhodanines and related heterocycles in medicinal chemistry

Rhodanines and related five-membered heterocycles with multiple heteroatoms have recently gained a reputation of being unselective compounds that appear as "frequent hitters" in screening campaigns and therefore have little value in drug discovery. However, this judgment appears to be based mostly on anecdotal evidence. Having identified various rhodanines and related compounds in screening campaigns, we decided to perform a systematic study on their promiscuity. An amount of 163 rhodanines, hydantoins, thiohydantoins, and thiazolidinediones were synthesized and tested against several targets. The compounds were also characterized with respect to aggregation and electrophilic reactivity, and the binding modes of rhodanines and related compounds in published X-ray cocrystal structures were analyzed. The results indicate that the exocyclic, double bonded sulfur atom in rhodanines and thiohydantoins, in addition to other structural features, offers a particularly high density of interaction sites for polar interactions and hydrogen bonds. This causes a promiscuous behavior at concentrations in the "screening range" but should not be regarded as a general knockout criterion that excludes such screening hits from further development. It is suggested that special criteria for target affinity and selectivity are applied to these classes of compounds and that their exceptional and potentially valuable biomolecular binding properties are consequently exploited in a useful way.

A convenient preparation of 2-(2-arylidene)- and 2-(2-polyhydroxyalkylidene)hydrazono-4-imidazolidinones with various heterocyclic side chain substituents at position 5 as potential antiviral and antitumor agents

A variety of novel 5-[(Z)-arylidene]-2-[(2-(E)-arylidene)hydrazono]4-imidazolidinones 1a-c to 4a,b and 5-[(Z)-arylidene]-2-[(2-(E)-polyhydroxyalkylidene)hydrazono]-4- imidazolidinones 5a-c to 7a-c were prepared from the reaction of 5-[(Z)-arylidene]-2-methylmercaptohydantoins 8a-c with 2-(E)-arylidene hydrazones 13a-d and/or 2-(E)-monosaccharides hydrazones 16a-c. The linear structure, and not that of the angular isomer, has been selected for the products. This structure has been confirmed from a model study of the condensation of 5-[(Z)-2-thienylidene]-2-hydrazono-4-imidazolidinone 9a with benzaldehyde and D-galactose, respectively. The acetylation and benzoylation reactions of compounds 1-7 have been studied. All the new compounds were tested for their potential antiviral and antitumor activities.