3-Methylthio-5-phenylamino-1,2,4-thiadiazole

Base Information

• Chemical Name: 3-Methylthio-5-phenylamino-1,2,4-thiadiazole
• CAS No.: 35746-47-5
• Molecular Formula: C9H9N3S2
• Molecular Weight: 223.3179
• NSC Number: 119959
• DSSTox Substance ID: DTXSID60957147
• Nikkaji Number: J346.903D
• Wikidata: Q82937374

Synonyms:35746-47-5;3-Methylthio-5-phenylamino-1,2,4-thiadiazole;NSC119959;SCHEMBL14207827;DTXSID60957147;NSC-119959;3-(Methylsulfanyl)-N-phenyl-1,2,4-thiadiazol-5(2H)-imine

Chemical Property of 3-Methylthio-5-phenylamino-1,2,4-thiadiazole

Chemical Property:

• Vapor Pressure: 7.55E-06mmHg at 25°C
• Boiling Point: 375.9°Cat760mmHg
• Flash Point: 181.1°C
• Density: 1.36g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.02378965
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NSC(=N1)NC2=CC=CC=C2

Technology Process of 3-Methylthio-5-phenylamino-1,2,4-thiadiazole

There total 6 articles about 3-Methylthio-5-phenylamino-1,2,4-thiadiazole 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: 98.0%

6-methyl-4-methylsulfanyl-1-phenyl-1,3,5-triazine-2(1H)-thione → 3-(methylthio)-N-phenyl-1,2,4-thiadiazol-5-amine (35746-47-5)

Guidance literature:

With oxone||potassium monopersulfate triple salt; tetrabutylammomium bromide; In chloroform-d1; for 48h;

DOI:10.1002/jhet.2232

Reference yield: 96.0%

4-methylsulfanyl-1-phenyl-1,3,5-triazin-2(1H)-thione → 3-(methylthio)-N-phenyl-1,2,4-thiadiazol-5-amine (35746-47-5)

Guidance literature:

With oxone; tetrabutylammomium bromide; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2009.07.144

Reference yield: 83.0%

S-methyl-N-phenylthiocarbamoyl-isothiourea (16691-28-4) → 3-(methylthio)-N-phenyl-1,2,4-thiadiazol-5-amine (35746-47-5)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In 1,2-dichloro-ethane; at 20 ℃; for 0.05h;

DOI:10.1021/acs.joc.6b01199

upstream raw materials:

S-methyl-N-phenylthiocarbamoyl-isothiourea

5-chloro-3-methylmercapto-1,2,4-thiadiazole

aniline

phenyl isothiocyanate

Downstream raw materials:

3-methylsulfinyl-5-(phenylamino)-1,2,4-thiadiazole

3-methylsulfonyl-5-(phenylamino)-1,2,4-thiadiazole

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