936-46-9

Basic information

• Product Name: 4-Phenylisothiazole
• Synonyms: 4-Phenylisothiazole
• CAS NO: 936-46-9
• Molecular Formula: C₉H₇NS
• Molecular Weight: 161.2236
• Mol File: 936-46-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 201.3°Cat760mmHg
• Flash Point: 71.6°C
• Appearance: /
• Density: 1.173g/cm³
• CAS DataBase Reference: 4-Phenylisothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Phenylisothiazole(936-46-9)
• EPA Substance Registry System: 4-Phenylisothiazole(936-46-9)

Safety Data

• Hazardous Substances Data: 936-46-9(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron, 22, p. 2119, 1966 DOI: 10.1016/S0040-4020(01)82131-1

Upstream product

• 1826-13-7 5-phenylthiazole 
• 53913-71-6 3-chloro-2-phenylpropenal 
• 103-82-2 phenylacetic acid 
• 15131-89-2 α-phenyl-β-dimethylaminoacrylaldehyde 
• 4432-64-8 hydroxymethylenephenylacetaldehyde 
• 83662-09-3 methyl(2-phenylprop-1-en-1-yl)sulfane 
• 98-83-9 isopropenylbenzene 
• 26591-66-2 2-phenyl-1,3-propanedial 

Downstream Products

• 25392-24-9 1-(4-isothiazol-4-yl-phenyl)-ethanone 
• 25392-19-2 4-(4-bromophenyl)isothiazole 
• 25392-15-8 4-(2-nitro-phenyl)-isothiazole 
• 25392-14-7 4-(4-nitro-phenyl)-isothiazole 
• 25392-17-0 4-(2,4-dinitro-phenyl)-isothiazole 
• 25392-20-5 5-bromo-4-(4-bromo-phenyl)-isothiazole 
• 25392-22-7 4-isothiazol-4-yl-benzenesulfonyl chloride 
• 97164-59-5 4,6,6-Triphenyl-2-thia-1-aza-bicyclo[3.2.0]hept-3-en-7-one 
• 97148-25-9 2-(2-Oxo-2-phenyl-ethyl)-4-phenyl-isothiazol-2-ium; bromide 
• 65182-52-7 4-Phenyl-1,2-thiazol-3(2H)-on-1,1-dioxid 
• 10514-31-5 5-deuterio-4-phenyl-isothiazole 
• 1826-12-6 4-phenyl-thiazole 
• 97148-27-1 Phenyl-(5-phenyl-2H-[1,3]thiazin-2-yl)-methanone 
• 97148-35-1 2-Benzoyl-7-chloro-5-phenyl-3-thia-1-aza-bicyclo[4.2.0]oct-4-en-8-one 

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.

Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans

Potential inhibitors of Leptosphaeria maculans mediated detoxification of the phytoalexin brassilexin were designed and synthesized based on the planar heteroaromatic structure of isothiazolo[5,4-b]indole. Screening of these compounds for inhibition of br

[2+2] Cycloaddition reactions of isothiazoles intramolecular nucleophilic attack on isothiazolium salts preparation of new β-lactam systems based on isothiazole nucleus

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