Tioxidazole

Base Information

• Chemical Name: Tioxidazole
• CAS No.: 61570-90-9
• Molecular Formula: C12H14 N2 O3 S
• Molecular Weight: 266.321
• Hs Code.: 2934200090
• European Community (EC) Number: 262-854-2
• UNII: NZW046NI85
• DSSTox Substance ID: DTXSID7046178
• Nikkaji Number: J18.530B
• Wikidata: Q27285133
• NCI Thesaurus Code: C75235
• Metabolomics Workbench ID: 152662
• ChEMBL ID: CHEMBL1371412
• Mol file: 61570-90-9.mol

Synonyms:methyl 6-n-propoxybenzothiazole-2-carbamate;Sch 21480;tioxidazole

Chemical Property of Tioxidazole

Chemical Property:

• Melting Point: 178-180°
• PSA: 88.69000
• Density: 1.313g/cm³
• LogP: 3.33640
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 266.07251349
• Heavy Atom Count: 18
• Complexity: 291

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl(6-propoxybenzo[d]thiazol-2-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OC
• Uses: Tiox [Veterinary](Schering-Plough Animal Health).

Technology Process of Tioxidazole

There total 4 articles about Tioxidazole 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:

6-n-propoxybenzothiazole-2-isocyanate (55951-35-4) → Tioxidazole (61570-90-9)

Guidance literature:

In methanol; benzene;

Reference yield:

2-amino-6-n-propyloxybenzothiazole-hydrochloride + methyl chloroformate (79-22-1) → Tioxidazole (61570-90-9)

Guidance literature:

In pyridine; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

2-mercapto-4-propoxyaniline + N-Carbmethoxy-imido-dithiokohlensaeuredimethylester (32089-20-6) → Tioxidazole (61570-90-9)

Guidance literature:

In ethanol;

upstream raw materials:

methyl chloroformate

N-Carbmethoxy-imido-dithiokohlensaeuredimethylester

6-n-propoxybenzothiazole-2-isocyanate