2103-92-6

Basic information

• Product Name: 4-(4-METHYLPHENYL)-1,3-THIAZOLE-2-THIOL
• Synonyms: 4-p-Tolylthiazole-2-thiol;4-(4-methylphenyl)-3H-1,3-thiazole-2-thione;4-(4-methylphenyl)-3H-thiazole-2-thione
• CAS NO: 2103-92-6
• Molecular Formula: C₁₀H₉NS₂
• Molecular Weight: 207.32
• Mol File: 2103-92-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 190-191 °C(Solv: acetone (67-64-1); water (7732-18-5))
• Boiling Point: 347°Cat760mmHg
• Flash Point: 163.7°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 5.53E-05mmHg at 25°C
• Refractive Index: 1.715
• PKA: 7.96±0.40(Predicted)
• CAS DataBase Reference: 4-(4-METHYLPHENYL)-1,3-THIAZOLE-2-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-METHYLPHENYL)-1,3-THIAZOLE-2-THIOL(2103-92-6)
• EPA Substance Registry System: 4-(4-METHYLPHENYL)-1,3-THIAZOLE-2-THIOL(2103-92-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• Hazardous Substances Data: 2103-92-6(Hazardous Substances Data)

Usage

General Description

4-(4-Methylphenyl)-1,3-thiazole-2-thiol is a chemical compound with the molecular formula C10H8S2. It belongs to the thiazole class of compounds and contains a thiazole ring with a methylphenyl group attached at the 4-position. Thiazoles have diverse biological activities and are used in the synthesis of various pharmaceuticals and agrochemicals. The 2-thiol group in this compound also imparts reactivity and can participate in various chemical reactions. This chemical may have potential applications in fields such as drug discovery, material science, and organic synthesis.

InChI:InChI=1/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)

Upstream product

• 6097-27-4 2-thiocyanato-1-(4-tolyl)ethanone 
• 125172-89-6 [(4-methylphenyl)ethynyl](phenyl)iodonium tosylate 
• 513-74-6 ammonium dithiocarbamate 
• 98475-04-8 1-(4-methylphenyl)-2-(p-tolylsulfonyloxy)ethanone 
• 122-00-9 para-methylacetophenone 
• 619-41-0 4-(bromoacetyl)toluene 
• 5337-93-9 4'-methylpropiophenone 
• 75-15-0 carbon disulfide 
• 69143-26-6 2-methanesulfonyl-1-p-tolyl-ethylideneamine 
• 104-85-8 para-methylbenzonitrile 
• 53983-40-7 triethylammonium dithiocarbamate 

Downstream Products

• 69390-11-0 2-butylsulfanyl-4-p-tolyl-thiazole 
• 2103-89-1 2-methylmercapto-4-(4'-methylphenyl)thiazole 
• 130459-59-5 (4-p-Tolyl-thiazol-2-ylsulfanyl)-acetonitrile 
• 112779-70-1 ethyl <4-(4'-methylphenyl)thiazol-2-ylthio>acetate 
• 112779-59-6 3-<4'-(4''-methylphenyl)thiazol-2'-ylthio>-8-methoxy-2H-1-benzopyran-2-one 
• 112779-58-5 3-<4'-(4''-methylphenyl)thiazol-2'-ylthio>-2H-1-benzopyran-2-one 
• 112779-67-6 <4-(4'-methylphenyl)thiazol-2-ylthio>acetic acid hydrazide 
• 112779-64-3 (4-p-Tolyl-thiazol-2-ylsulfanyl)-acetic acid [1-(2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide 
• 112779-65-4 (4-p-Tolyl-thiazol-2-ylsulfanyl)-acetic acid [1-(2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide 
• 116626-06-3 5-(4-p-Tolyl-thiazol-2-ylsulfanylmethyl)-[1,3,4]oxadiazole-2-thiol 
• 116643-29-9 2-Methylsulfanyl-5-(4-p-tolyl-thiazol-2-ylsulfanylmethyl)-[1,3,4]oxadiazole 
• 130459-67-5 8-Methoxy-3-(4-p-tolyl-thiazol-2-ylsulfanyl)-chromen-2-ylideneamine 
• 130459-63-1 3-(4-p-Tolyl-thiazol-2-ylsulfanyl)-chromen-2-ylideneamine 
• 500193-63-5 2-(3-propyl-1-phenyl-4,5-dihydro-5-oxopyrazol-4-thio)-4-(4-methylphenyl)thiazole 

Relevant articles and documents

Synthesis of novel azabicyclo derivatives containing a thiazole moiety and their biological activity against pine-wood nematodes

To explore a new skeleton with nematicidal activity, a series of novel azabicyclo derivatives containing a thiazole moiety were designed, synthesized and evaluated for their nematicidal activities. The bioassay results against pine-wood nematodes (Bursaphelenchus xylophilus) showed that most of the title compounds displayed nematicidal activity at a concentration of 40 mg/L. Especially, the title compounds2-((8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy)-4-(4-chlorophenyl)thiazole (7e), 2-((8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thio)-4-phenylthiazole (10a) and 2-((8-methyl-8-azabicyclo [3.2.1]octan-3-yl)thio)-4-(4-chlorophenyl)thiazole (10e) exhibited more than 90% mortality against Bursaphelenchus xylophilus.

An approach to the synthesis of 4-aryl and 5-aryl substituted thiazole-2(3: H)-thiones employing flow processing

A method for the preparation of 4-aryl and 5-aryl substituted thiazole-2(3H)-thiones is described. Flow processing is employed as a tool, and supported acids and bases used to facilitate both the synthetic strategy and product isolation. The methodology is applicable to a range of substrates.

Synthesis 4-(4'-methylphenyl)-2-mercaptothiazole structure with NMR, vibrational, Mass Spectroscopy and DFT studies

4-(4'-methylphenyl)-2-mercaptothiazole (MPMT) was synthesized from a compound of thiocarbamate family using condensation reaction. The spectroscopic properties of this structure were studied using 1H-NMR, 13C-NMR, FT-IR, Mass Spectroscopy, and elemental analysis methods. Subsequently, its thermodynamic parameters were examined by performing density functional theory (DFT) calculation at B3LYP, B3PW91, and mPW1PW91 levels of theory and 6-311G (d, p) basis set. After studying the values of total energy, entropy, vibrational frequencies, ZPVE, HOMO and LUMO dependant parameters such as Chemical potential, Chemical hardness, Electrophilicity, and maximum amount of electronic charge transfer were also considered. However, chemical shift value of different nuclei were theoretically determined. The results indicated high conformity between the theoretical and experimental values. Finally, the electrostatic potential values of this structure were studied. The results showed variation in the value of this parameter at different part of the structure.