5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide

Base Information

• Chemical Name: 5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide
• CAS No.: 63031-81-2
• Molecular Formula: C10H8 Cl N O2 S3
• Molecular Weight: 305.83
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10381155
• Nikkaji Number: J2.533.316K
• Wikidata: Q82171809
• ChEMBL ID: CHEMBL368096
• Mol file: 63031-81-2.mol

Synonyms:63031-81-2;5-[(4-CHLOROPHENYL)THIO]THIOPHENE-2-SULFONAMIDE;5-(4-chlorophenyl)sulfanylthiophene-2-sulfonamide;5-((4-Chlorophenyl)thio)thiophene-2-sulfonamide;5-[(4-chlorophenyl)sulfanyl]thiophene-2-sulfonamide;5-(4-Chlorophenylthio)thiophene-2-sulfonamide;5-[(4-chlorophenyl)thio]-2-thiophenesulfonamide;Maybridge1_004757;Oprea1_701736;CHEMBL368096;SCHEMBL5805371;HMS555A05;DTXSID10381155;MFCD00084975;AS-9119;CCG-246424;CS-0322777;FT-0619872;A834163

Chemical Property of 5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide

Chemical Property:

• Vapor Pressure: 2.03E-11mmHg at 25°C
• Melting Point: 133oC
• Boiling Point: 532.5oC at 760 mmHg
• Flash Point: 275.8oC
• PSA: 122.08000
• Density: 1.62g/cm3
• LogP: 4.98120
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 304.9405697
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=CC=C(S2)S(=O)(=O)N)Cl

Technology Process of 5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide

There total 1 articles about 5-[(4-Chlorophenyl)thio]thiophene-2-sulfonamide 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: 41.0%

5-bromo-thiophene-2-sulfonamide (53595-65-6) + p-Chlorothiophenol (106-54-7) → 5-[(4-chlorophenyl)thio]thiophene-2-sulfonamide (63031-81-2)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; for 4h; Heating;

DOI:10.1021/jm00140a009

Reference yield: 78.0%

5-[(4-chlorophenyl)thio]thiophene-2-sulfonamide (63031-81-2) → 5-(4-Chloro-benzenesulfonyl)-thiophene-2-sulfonic acid amide (63032-74-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 1h; Heating;

DOI:10.1021/jm00140a009

Reference yield: 62.0%

2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid (32002-72-5) + 5-[(4-chlorophenyl)thio]thiophene-2-sulfonamide (63031-81-2) → 5-[(4-chlorophenyl)thio]-N-{[(2-methyl-4-phenyl-1,3-thiazol-5-yl)amino]carbonyl}thiophene-2-sulfonamide

Guidance literature:

With diphenylphosphoranyl azide; triethylamine; In benzene; at 85 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.10.046

upstream raw materials:

5-bromo-thiophene-2-sulfonamide

p-Chlorothiophenol

Downstream raw materials:

5-(4-Chloro-benzenesulfinyl)-thiophene-2-sulfonic acid amide

5-(4-Chloro-benzenesulfonyl)-thiophene-2-sulfonic acid amide

Refernces