18212-29-8

Basic information

• Product Name: 5-PHENYL-1,2,3-THIADIAZOLE
• Synonyms: 1,2,3-Thiadiazole, 5-phenyl-;5-PHENYL-1,2,3-THIADIAZOLE;NISTC18212298;Einecs 242-097-4
• CAS NO: 18212-29-8
• Molecular Formula: C₈H₆N₂S
• Molecular Weight: 162.21164
• EINECS: 242-097-4
• Mol File: 18212-29-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 289.3°Cat760mmHg
• Flash Point: 129.8°C
• Appearance: /
• Density: 1.241g/cm³
• Vapor Pressure: 0.00385mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: 5-PHENYL-1,2,3-THIADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENYL-1,2,3-THIADIAZOLE(18212-29-8)
• EPA Substance Registry System: 5-PHENYL-1,2,3-THIADIAZOLE(18212-29-8)

Safety Data

• Hazardous Substances Data: 18212-29-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H6N2S/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-6H

Upstream product

• 122-78-1 phenylacetaldehyde 
• 5873-86-9 methyl thiobenzoate 
• 4638-79-3 2-chloro-2-phenylacetaldehyde 
• 1722-94-7 phenylacetaldehyde semicarbazone 
• 2168-78-7 methyl dithiobenzoate 
• 84645-45-4 lithio(trimethylsilyl)diazomethane 
• 24009-94-7 phenethylidene-hydrazinecarboxylic acid methyl ester 
• 39269-33-5 5-phenyl-[1,2,3]thiadiazole 2-oxide 
• 186581-53-3 diazomethane 
• 936-61-8 Thiobenzoic acid O-ethyl ester 

Downstream Products

• 40753-17-1 2-benzylidene-4-phenyl-[1,3]dithiole 
• 18212-30-1 4-methyl-5-phenyl-[1,2,3]thiadiazole 
• 39269-33-5 5-phenyl-[1,2,3]thiadiazole 2-oxide 
• 56755-54-5 Phenyl-thioacetic acid O-[2-(2-hydroxy-ethoxy)-ethyl] ester 
• 14758-20-4 phenyl(1-phenyl-1H-1,2,3-triazol-4-yl)methanone 
• 126933-59-3 (1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)(phenyl)methanone 
• 98013-39-9 4-benzoyl-1-(tert-butyl)-1,2,3-triazole 
• 118526-76-4 (1-Methyl-1H-[1,2,3]triazol-4-yl)-phenyl-methanone 
• 134926-96-8 4-benzoyl-1-ethyl-1,2,3-triazole 
• 134926-97-9 4-benzoyl-1-isopropyl-1,2,3-triazole 
• 92426-84-1 4-benzoyl-1-(4-chlorophenyl)-1,2,3-triazole 
• 79035-95-3 3-methyl-5-phenyl-1,2,3-thiadiazolium-4-olate 
• 87636-15-5 3-Benzyl-4-methylsulfanyl-5-phenyl-[1,2,3]thiadiazol-3-ium; iodide 
• 87636-14-4 3-Ethyl-4-methylsulfanyl-5-phenyl-[1,2,3]thiadiazol-3-ium; iodide 

Relevant articles and documents

Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors

The heme enzyme indoleamine 2,3-dioxygenase 1 (IDO1) plays an essential role in immunity, neuronal function, and aging through catalysis of the rate-limiting step in the kynurenine pathway of tryptophan metabolism. Many IDO1 inhibitors with different chemotypes have been developed, mainly targeted for use in anti-cancer immunotherapy. Lead optimization of direct heme iron-binding inhibitors has proven difficult due to the remarkable selectivity and sensitivity of the heme-ligand interactions. Here, we present experimental data for a set of closely related small azole compounds with more than 4 orders of magnitude differences in their inhibitory activities, ranging from millimolar to nanomolar levels. We investigate and rationalize their activities based on structural data, molecular dynamics simulations, and density functional theory calculations. Our results not only expand the presently known four confirmed chemotypes of sub-micromolar heme binding IDO1 inhibitors by two additional scaffolds but also provide a model to predict the activities of novel scaffolds.

1,2,3-thiadiazole compounds, compositions and method of anti-thrombotic treatment

Novel 1,2,3-thiadiazole compounds, new and old 1,2,3-thiadiazole compositions and method of anti-thrombotic treatment are systemically administered to a human or animal.

Synthesis and platelet aggregation inhibitory activity of 4,5-bis(substituted)-1,2,3-thiadiazoles

Routine screening of compounds for inhibition of collagen-induced platelet aggregation in vitro revealed 4,5-bis-(4-methoxyphenyl)-1,2,3-thiadiazole was active and it represents the first example of a 1,2,3-thiadiazole with possible antithrombotic activit