4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 4-(METHYLTHIO)PHENYL ISOTHIOCYANATE
• CAS No.: 15863-41-9
• Molecular Formula: C8H7NS2
• Molecular Weight: 181.282
• Hs Code.: 2930909090
• Mol file: 15863-41-9.mol

Synonyms:Isothiocyanicacid, p-(methylthio)phenyl ester (6CI,8CI);(p-Isothiocyanatophenyl)methylsulfide;4-(Methylthio)phenyl isothiocyanate;p-(Methylthio)phenylisothiocyanate;

Chemical Property of 4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: yellow flakes and powder
• Vapor Pressure: 1.32E-08mmHg at 25°C
• Melting Point: 54-58 °C (lit.)
• Refractive Index: 1.586
• Boiling Point: 301.5 °C at 760 mmHg
• Flash Point: 136.2 °C
• PSA: 69.75000
• Density: 1.13 g/cm³
• LogP: 3.14280
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Methylthio)phenyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

There total 8 articles about 4-(METHYLTHIO)PHENYL ISOTHIOCYANATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

di-2-pyridyl thionocarbonate (96989-50-3) + 4-methylsulfanylaniline (104-96-1) → 1-isothiocyanato-4-(methylthio)benzene (15863-41-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 41h; Inert atmosphere;

DOI:10.1002/cmdc.201800348

Reference yield: 70.0%

4-methylsulfanylaniline (104-96-1) + (2-bromo-2,2-difluoro-acetyl)oxysodium → 1-isothiocyanato-4-(methylthio)benzene (15863-41-9)

Guidance literature:

With sulfur; potassium phosphate; copper(l) iodide; In acetonitrile; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1039/c8cc09190k

Reference yield: 55.0%

C8H9NS3*C6H15N → 1-isothiocyanato-4-(methylthio)benzene (15863-41-9)

Guidance literature:

With sodium persulfate; potassium carbonate; In water; at 20 ℃; for 1h; chemoselective reaction; Green chemistry;

DOI:10.1039/c8gc02261e

upstream raw materials:

4-methylsulfanylaniline

N,N-Dimethylthiocarbamoyl chloride

di-2-pyridyl thionocarbonate

Downstream raw materials:

1-(3,5-Bis-trifluoromethyl-phenyl)-3-(4-methylsulfanyl-phenyl)-thiourea

N-(4-methylthiophenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]thiourea

5'-deoxy-5'-{[4-(methylthio)anilinothiocarbonyl]amino}thymidine

2-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]-N-[4-(methylthio)phenyl] hydrazinecarbothioamide

Refernces

• 1、 -. "Isothiocyanate synthesized by three components and preparation method of isothiocyanate". Paragraph 0041. . Retrieved 2019/04/26.
• 2、 Fu, Zhicheng,Yuan, Wenhao,Chen, Ning,Yang, Zhanhui,Xu, Jiaxi. "Na2S2O8-mediated efficient synthesis of isothiocyanates from primary amines in water". supporting information. p. 4484 - 4491. Retrieved 2018/10/17.