4-Chlorobenzene-1-sulfonyl isothiocyanate

Base Information

• Chemical Name: 4-Chlorobenzene-1-sulfonyl isothiocyanate
• CAS No.: 1424-59-5
• Molecular Formula: C₇H₄ClNO₂S₂
• Molecular Weight: 233.699
• DSSTox Substance ID: DTXSID10506366
• Mol file: 1424-59-5.mol

Synonyms:1424-59-5;4-Chlorobenzene-1-sulfonyl isothiocyanate;DTXSID10506366

Chemical Property of 4-Chlorobenzene-1-sulfonyl isothiocyanate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 232.9371984
• Heavy Atom Count: 13
• Complexity: 308

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)N=C=S)Cl

Technology Process of 4-Chlorobenzene-1-sulfonyl isothiocyanate

There total 2 articles about 4-Chlorobenzene-1-sulfonyl isothiocyanate 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:

N-(4-chlorobenzenesulfonyl)-dithiocarbamic acid-S-methyl ester (6503-23-7) → 4-chlorophenylsulphonyl isothiocyanate (1424-59-5)

Guidance literature:

at 160 ℃;

Reference yield:

→ 4-chlorophenylsulphonyl isothiocyanate (1424-59-5)

Guidance literature:

Bis-<(4-chlor-benzolsulfonylimino-methylmercapto-methyl>-disulfid, Erh. in Xylol, Dichlorbenzol;

Reference yield: 70.0%

diazodiphenylmethane (908093-98-1) + 4-chlorophenylsulphonyl isothiocyanate (1424-59-5) → 4-Chloro-N-[3,3-diphenyl-thiiran-(Z)-ylidene]-benzenesulfonamide (72047-58-6)

Guidance literature:

DOI:10.1021/jo01310a020

upstream raw materials:

N-(4-chlorobenzenesulfonyl)-dithiocarbamic acid-S-methyl ester

Downstream raw materials:

4-chloro-N-methyl-N-[1,2,3]thiadiazol-5-yl-benzenesulfonamide

[5-(4-chloro-benzenesulfonylamino)-[1,2,3]thiadiazol-4-yl]-phenyl-methanone

4-chloro-N-[1,2,3,4]thiatriazol-5-yl-benzenesulfonamide

4-Chloro-N-[3,3-diphenyl-thiiran-(Z)-ylidene]-benzenesulfonamide