4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide

Base Information

• Chemical Name: 4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide
• CAS No.: 51908-30-6
• Molecular Formula: C₁₀H₇N₃O₂S₃
• Molecular Weight: 297.382
• DSSTox Substance ID: DTXSID601239339
• Mol file: 51908-30-6.mol

Synonyms:4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide;51908-30-6;4-isothiocyanato-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-isothiocyanato-N-thiazol-2-yl-benzenesulfonamide;SCHEMBL710012;HHKNHSAECJJNKK-UHFFFAOYSA-N;DTXSID601239339;AKOS003323747;4-Isothiocyanato-N-2-thiazolylbenzenesulfonamide;4-Isothiocyanato-N-(thiazol-2-yl)benzenesulfonamide

Chemical Property of 4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 296.97004000
• Heavy Atom Count: 18
• Complexity: 420

Purity/Quality:

98%min ^*data from raw suppliers

4-Isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C=S)S(=O)(=O)NC2=NC=CS2

Technology Process of 4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide

There total 2 articles about 4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide 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:

Sulfathiazole (72-14-0) → 4-isothiocyanato-N-thiazol-2-yl-benzenesulfonamide (51908-30-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01216a022

Reference yield:

thiophosgene (463-71-8) + Sulfathiazole (72-14-0) → 4-isothiocyanato-N-thiazol-2-yl-benzenesulfonamide (51908-30-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1135/cccc19740182

Reference yield: 93.0%

4-isothiocyanato-N-thiazol-2-yl-benzenesulfonamide (51908-30-6) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 4-(4-oxo-2-thioxo-1,4-dihydro-2H-quinazolin-3-yl)-N-thiazol-2-yl-benzenesulfonamide (296795-50-1)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 0.5h; Heating;

DOI:10.1080/10426500008045000

upstream raw materials:

thiophosgene

Sulfathiazole

Downstream raw materials:

4-({N'-[(3-chloro-phenyl)-thiocarbamoyl]-hydrazinothiocarbonyl}-amino)-N-thiazol-2-yl-benzenesulfonamide

4-({N'-[(4-ethoxy-phenyl)-thiocarbamoyl]-hydrazinothiocarbonyl}-amino)-N-thiazol-2-yl-benzenesulfonamide

4-({N'-[(4-butoxy-phenyl)-thiocarbamoyl]-hydrazinothiocarbonyl}-amino)-N-thiazol-2-yl-benzenesulfonamide

4-{[N'-(phenyl-thiocarbamoyl)-hydrazinothiocarbonyl]-amino}-N-thiazol-2-yl-benzenesulfonamide

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