1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea
• CAS No.: 6156-18-9
• Molecular Formula: C5H12 S2
• Molecular Weight: 136.282
• Hs Code.: 2930909090
• Wikidata: Q82962212
• Pharos Ligand ID: DKJ1RTB4HVDG
• ChEMBL ID: CHEMBL4209613
• Mol file: 6156-18-9.mol

Synonyms:1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiourea;6156-18-9;588-87-4;4-(3-(4-fluorophenyl)thioureido)benzenesulfonamide;CHEMBL4209613;4-{[(4-Fluorophenyl)carbamothioyl]amino}benzene-1-Sulfonamide;8JS;CBMicro_047412;MixCom6_002356;Oprea1_527728;4-({[(4-fluorophenyl)amino]carbonothioyl}amino)benzenesulfonamide;BDBM50457329;STK022979;AKOS000488032;BIM-0047471.P001;VU0510758-1;EC 478-900-1;AN-329/40396852;SR-01000229376;SR-01000229376-1;F3146-3589;4-{[(4-fluoroanilino)carbothioyl]amino}benzenesulfonamide;4-{[(4-fluorophenyl)carbamothioyl]amino}benzenesulfonamide

Chemical Property of 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 7.29E-10mmHg at 25°C
• Boiling Point: 493°Cat760mmHg
• Flash Point: 252°C
• PSA: 124.69000
• Density: 1.542g/cm³
• LogP: 4.20910
• Water Solubility.: 333mg/L at 20℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 325.03549714
• Heavy Atom Count: 21
• Complexity: 451

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)F

Technology Process of 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea

There total 1 articles about 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea 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:

methylthiol (74-93-1) + acetone (67-64-1) + phenol (108-95-2,27073-41-2) → BPA (80-05-7) + C27H30O3 (287110-79-6) + 2,2-bis(methylthio)propane (6156-18-9) + 2,2-bis(2-hydroxyphenyl)-propane (7559-72-0) + 5-hydroxy-3-(4-hydroxyphenyl)-1,1,3-trimethylindane (10527-11-4) + 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol (2300-15-4) + 4-methyl-4-methylthio-2-pentanone (23550-40-5) + 2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol (837-08-1) + 5-hydroxy-1-(4'-hydroxyphenyl)-1,3,3-trimethylindan (109252-41-7)

Guidance literature:

strongly acidic 2percent cross linked sulfonated styrene divinylbenzene cationic gel exchange resin CT₁₂₂; In water; at 75 ℃; for 3h; Product distribution / selectivity;

Reference yield:

2,2-bis(methylthio)propane (6156-18-9) + acetyl chloride (75-36-5) → S-methyl thiolacetate (1534-08-3)

Guidance literature:

for 288h; Ambient temperature;

Reference yield:

2,2-bis(methylthio)propane (6156-18-9) → methylthiol (74-93-1)

Guidance literature:

With phenol; strongly acidic 2percent cross linked sulfonated styrene divinylbenzene cationic gel exchange resin CT₁₂₂; In water; at 60 ℃; Conversion of starting material;

upstream raw materials:

methylthiol

acetone

phenol

Downstream raw materials:

2,2-bis(methylsulfonyl)propane

4-methyl-4-methylthio-2-pentanone

S-methyl thiolacetate

BPA

Refernces