UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)-

Base Information

• Chemical Name: UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)-
• CAS No.: 6361-95-1
• Molecular Formula: C14H14N2O2S2
• Molecular Weight: 306.409
• European Community (EC) Number: 665-769-2
• NSC Number: 104843
• DSSTox Substance ID: DTXSID10212995
• Nikkaji Number: J48.964F
• Mol file: 6361-95-1.mol

Synonyms:6361-95-1;UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)-;1-Phenyl-2-thio-3-(p-tolylsulfonyl)urea;4-methyl-n-(phenylcarbamothioyl)benzenesulfonamide;1-Phenyl-3-(p-tolylsulfonyl)thiourea;1-Phenyl-3-(p-toluene)sulfonyl-2-thiourea;NSC 104843;BRN 2702066;Benzenesulfonamide, 4-methyl-N-[(phenylamino)thioxomethyl]-;Benzenesulfonamide, 4-methyl-N-((phenylamino)thioxomethyl)-;1-(4-methylphenyl)sulfonyl-3-phenylthiourea;NSC104843;Oprea1_654109;WLN: SUYMR&MSWR D1;F1535-0020;SCHEMBL5186788;DTXSID10212995;AKOS001021485;NSC-104843;1-Phenyl-3-(p-tolylsulfonyl)-2-thiourea;1-Phenyl-3-(p-toluenesulfonyl)-2-thiourea;LS-160662;CS-0281836;SR-01000013095;SR-01000013095-1;Z56667636;1-{[(anilinocarbothioyl)amino]sulfonyl}-4-methylbenzene;1-([(Anilinocarbothioyl)amino]sulfonyl)-4-methylbenzene #

Chemical Property of UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)-

Chemical Property:

• Vapor Pressure: 1.9E-08mmHg at 25°C
• Boiling Point: 454.5°Cat760mmHg
• Flash Point: 228.7°C
• Density: 1.36g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 306.04967004
• Heavy Atom Count: 20
• Complexity: 417

Purity/Quality:

1-PHENYL-3-(P-TOLYLSULFONYL)-2-THIOUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=CC=C2

Technology Process of UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)-

There total 4 articles about UREA, 1-PHENYL-2-THIO-3-(p-TOLYLSULFONYL)- 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: 91.0%

phenyl isothiocyanate (103-72-0) + toluene-4-sulfonamide (70-55-3) → 4-methyl-N-(phenylcarbamothioyl)benzenesulfonamide (6361-95-1)

Guidance literature:

toluene-4-sulfonamide; With potassium carbonate; In neat (no solvent); at 20 ℃; for 1h; Milling;

phenyl isothiocyanate; In neat (no solvent); at 20 ℃; for 2h; Milling;

DOI:10.1039/c3cc47905f

Reference yield: 35.0%

phenyl isothiocyanate (103-72-0) + toluene-4-sulfonamide (70-55-3) → 4-methyl-N-(phenylcarbamothioyl)benzenesulfonamide (6361-95-1) + N,N-diphenylthiourea (102-08-9)

Guidance literature:

toluene-4-sulfonamide; With sodium hydroxide; In water; acetone; for 0.166667h;

phenyl isothiocyanate; In water; acetone; at 20 ℃; for 48h;

DOI:10.1016/j.ica.2021.120506

Reference yield:

phenyl-dithiocarbamic acid; sodium salt (18418-42-3) → 4-methyl-N-(phenylcarbamothioyl)benzenesulfonamide (6361-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: potassium hydroxide / water

With potassium hydroxide; In water;

DOI:10.3998/ark.5550190.0013.922

upstream raw materials:

phenyl isothiocyanate

toluene-4-sulfonamide

phenyl-dithiocarbamic acid; sodium salt

Downstream raw materials:

3-phenyl-4-tosylimino-1,3-thiazetidine-2-one

N-(3-phenyl-[1,3]thiazetidin-2-ylidene)-toluene-4-sulfonamide

3-phenyl-4-tosylimino-1,3-thiazetidine-2-thione

N-4<(D-galacto-1,2,3,4,5-Pentahydroxypentyl)-3-phenyl-Δ⁴-thiazolin-2-yliden>-p-tolylsulfonamid