149865-84-9

Basic information

• Product Name: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)
• Synonyms: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI);5-Indanyl isothiocyate
• CAS NO: 149865-84-9
• Molecular Formula: C₁₀H₉NS
• Molecular Weight: 175.254
• Product Categories: ISOTHIOCYANATE
• Mol File: 149865-84-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 99°C/1mm
• Flash Point: 144.1°C
• Appearance: /
• Density: 1.15
• Vapor Pressure: 0.00141mmHg at 25°C
• Refractive Index: 1.638
• CAS DataBase Reference: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)(149865-84-9)
• EPA Substance Registry System: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)(149865-84-9)

Safety Data

• HazardClass: IRRITANT, KEEP COLD
• Hazardous Substances Data: 149865-84-9(Hazardous Substances Data)

Usage

General Description

1H-Indene, 2,3-dihydro-5-isothiocyanato (9CI) is a chemical compound with a molecular formula of C10H9NS. It is an isothiocyanate derivative of indene, a bicyclic aromatic hydrocarbon. 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI) is a yellowish to light brown solid at room temperature and is insoluble in water but soluble in organic solvents such as ether and acetone. It is commonly used in organic synthesis and as a reagent in chemical reactions. Its isothiocyanate group gives it certain properties that make it useful in various industrial and research applications, such as in the production of pharmaceuticals, pesticides, and polymers. Additionally, this compound has potential applications in fields like agriculture and medicine, although further research is needed to fully explore these possibilities.

InChI:InChI=1/C10H9NS/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2

Upstream product

• 24425-40-9 indan-5-amine 
• 302576-95-0 (indan-5-ylamino)phenoxymethane-1-thione 

Downstream Products

• 1198227-06-3 C₂₄H₃₁N₃O₃S 
• 1046490-85-0 N-(2,3-dihydro-1H-inden-5-yl)-2,4-dihydroxy-5-isopropylbenzothioamide 

Relevant articles and documents

Synthesis and biological evaluation of 3-substituted 5-benzylidene-1-methyl-2-thiohydantoins as potent NADPH oxidase (NOX) inhibitors

We report the synthesis of novel 3-substituted 5-benzylidene-1-methyl-2-thiohydantoins 3, and their biological evaluation using NADPH oxidase (NOX) 1 and 4. Based on structural and pharmacophore analyses of known inhibitors such as hydroxypyrazole 2, we e

Novel selective and potent inhibitors of malaria parasite dihydroorotate dehydrogenase: Discovery and optimization of dihydrothiophenone derivatives

Taking the emergence of drug resistance and lack of effective antimalarial vaccines into consideration, it is of significant importance to develop novel antimalarial agents for the treatment of malaria. Herein, we elucidated the discovery and structure-activity relationships of a series of dihydrothiophenone derivatives as novel specific inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH). The most promising compound, 50, selectively inhibited PfDHODH (IC50 = 6 nM, with >14 000-fold species-selectivity over hDHODH) and parasite growth in vitro (IC50 = 15 and 18 nM against 3D7 and Dd2 cells, respectively). Moreover, an oral bioavailability of 40% for compound 50 was determined from in vivo pharmacokinetic studies. These results further indicate that PfDHODH is an effective target for antimalarial chemotherapy, and the novel scaffolds reported in this work might lead to the discovery of new antimalarial agents.