Siccamide

Base Information

• Chemical Name: Siccamide
• CAS No.: 13463-26-8
• Molecular Formula: C8H7ClN4O4S3
• Molecular Weight: 354.8136
• NSC Number: 698998
• DSSTox Substance ID: DTXSID80158836
• Nikkaji Number: J1.022.444F
• Wikidata: Q83027146
• ChEMBL ID: CHEMBL1986616
• Mol file: 13463-26-8.mol

Synonyms:Siccamide;NSC698998;BRN 0338555;p-Chlorbenzolsulfonamidothiazolsulfonamide;5-(((4-Chlorophenyl)sulfonyl)amino)-1,3,4-thiadiazole-2-sulfonamide;13463-26-8;4-27-00-08226 (Beilstein Handbook Reference);1,3,4-Thiadiazole-2-sulfonamide, 5-(p-chlorobenzenesulfonamido)-;1,3,4-Thiadiazole-2-sulfonamide, 5-(((4-chlorophenyl)sulfonyl)amino)-;1,3,4-Thiadiazole-2-sulfonamide, 5-[[(4-chlorophenyl)sulfonyl]amino]-;5-[[(4-Chlorophenyl)sulfonyl]amino]-1,3,4-thiadiazole-2-sulfonamide;C8H7ClN4O4S3;SCHEMBL9796165;CHEMBL1986616;DTXSID80158836;C8-H7-Cl-N4-O4-S3;5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide;AKOS024366415;NSC-698998;NCI60_035401;LS-150303

Chemical Property of Siccamide

Chemical Property:

• Vapor Pressure: 1.78E-14mmHg at 25°C
• Boiling Point: 602.6°Cat760mmHg
• Flash Point: 318.2°C
• Density: 1.816g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 353.9317959
• Heavy Atom Count: 20
• Complexity: 535

Purity/Quality:

99% ^*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)NC2=NN=C(S2)S(=O)(=O)N)Cl

Technology Process of Siccamide

There total 2 articles about Siccamide 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:

5-amino-1, 3, 4-thiadiazole-2-sulfonamide (14949-00-9) + 4-chlorobenzenesulfonyl chloride (98-60-2) → (4-chloro-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide (13463-26-8)

Guidance literature:

With sodium hydroxide; Ambient temperature;

DOI:10.1016/S0223-5234(98)80042-1

Reference yield:

→ (4-chloro-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide (13463-26-8)

Guidance literature:

/BRN= 322465/;

DOI:10.1021/jo01112a612

upstream raw materials:

5-amino-1, 3, 4-thiadiazole-2-sulfonamide

4-chlorobenzenesulfonyl chloride

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