4-Thioureidobenzenesulfonamide

Base Information

• Chemical Name: 4-Thioureidobenzenesulfonamide
• CAS No.: 1718-39-4
• Molecular Formula: C7H9N3O2S2
• Molecular Weight: 231.299
• Hs Code.: 2935009090
• European Community (EC) Number: 673-752-6
• DSSTox Substance ID: DTXSID00352016
• ChEMBL ID: CHEMBL508240
• Mol file: 1718-39-4.mol

Synonyms:4-thioureidobenzenesulfonamide;1718-39-4;4-Thioureido-benzenesulfonamide;(4-sulfamoylphenyl)thiourea;4-[(aminocarbonothioyl)amino]benzenesulfonamide;1-(4-Sulfamoylphenyl)-1-sulfanylurea;4-(carbamothioylamino)benzenesulfonamide;4-aminosulfonylphenylthiourea;4-[(Aminothioxomethyl)amino]benzenesulfonamide;TimTec1_001806;Oprea1_780315;CHEMBL508240;SCHEMBL3835013;DTXSID00352016;HMS1539C02;BAA71839;BBL028917;MFCD00775046;STK938844;AKOS000267585;AKOS025116739;AM83278;DS-2857;NCGC00341055-01;BB 0242992;CS-0149695;FT-0660322;EN300-31939;A20780;I11552;AB01332041-02;J-010762;Z57284765;2-AMINOMETHYL-3-(4-BROMO-PHENYL)-PROPIONICACID

Chemical Property of 4-Thioureidobenzenesulfonamide

Chemical Property:

• Melting Point: 209 °C
• Boiling Point: 448 °C at 760 mmHg
• PKA: 9.99±0.12(Predicted)
• Flash Point: 224.8 °C
• PSA: 138.68000
• Density: 1.578 g/cm³
• LogP: 2.54390
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.01361889
• Heavy Atom Count: 14
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

4-Thioureido-benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)N)S(=O)(=O)N

Technology Process of 4-Thioureidobenzenesulfonamide

There total 6 articles about 4-Thioureidobenzenesulfonamide 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: 93.0%

potassium thioacyanate (333-20-0) + sulfanilamide (63-74-1) → (4-aminosulfonylphenyl)thiourea (1718-39-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 2h; Heating;

Reference yield: 93.0%

ammonium thiocyanate (1147550-11-5) + sulfanilamide (63-74-1) → (4-aminosulfonylphenyl)thiourea (1718-39-4)

Guidance literature:

With hydrogenchloride; In water; for 3h; Heating;

DOI:10.1007/s00044-011-9898-4

Reference yield: 76.0%

ammonium thiocyanate + sulfanilamide (63-74-1) → (4-aminosulfonylphenyl)thiourea (1718-39-4)

Guidance literature:

ammonium thiocyanate; sulfanilamide; With hydrogenchloride; In water; at 20 ℃;

ammonium thiocyanate; In water; at 90 ℃;

DOI:10.1016/j.bmcl.2022.128581

upstream raw materials:

ammonium thiocyanate

sulfanilamide hydrochloride

potassium thioacyanate

sulfanilamide

Downstream raw materials:

2-(4-sulphonamidophenyl)-amino-Δ²-thiazolin-4-one

3H-2-imino-3-(p-sulfamylphenyl)-5,7-dimethylpyrido-<3,4-e>-1,3-thiazin-4-one

4-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzenesulfonamide

4-[4-(6,8-dibromo-2-oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzenesulfonamide

Refernces

• 1、 Angeli, Andrea,Supuran, Claudiu T.,Altu?, Cevher,Erigür, Esra Caner. "Design, synthesis and human carbonic anhydrase I, II, IX and XII inhibitory properties of 1,3-thiazole sulfonamides". supporting information. . Retrieved 2022/01/28.
• 2、 K?l?caslan, Soner,Arslan, Mustafa,Ruya, Zeynep,Bilen, ?igdem,Ergün, Adem,Gen?er, Nahit,Arslan, Oktay. "Synthesis and evaluation of sulfonamide-bearing thiazole as carbonic anhydrase isoforms hCA I and hCA II". . p. 1300 - 1305. Retrieved 2016/10/09.