4-Phenyl-1,3-thiazole-2-carbothioamide

Base Information

• Chemical Name: 4-Phenyl-1,3-thiazole-2-carbothioamide
• CAS No.: 214352-08-6
• Molecular Formula: C₁₀H₈N₂S₂
• Molecular Weight: 220.319
• DSSTox Substance ID: DTXSID20368033
• Wikidata: Q82154312
• Mol file: 214352-08-6.mol

Synonyms:2-Thiazolecarbothioamide,4-phenyl-;214352-08-6;4-phenyl-1,3-thiazole-2-carbothioamide;DTXSID20368033;STL192161;AKOS015840546;SR-01000025841;SR-01000025841-1;Z56763771

Chemical Property of 4-Phenyl-1,3-thiazole-2-carbothioamide

Chemical Property:

• Boiling Point: 416.0±38.0 °C(Predicted)
• PKA: 11.93±0.29(Predicted)
• PSA: 99.24000
• Density: 1.343±0.06 g/cm3(Predicted)
• LogP: 3.14460
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.01289061
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99%,98%, ^*data from raw suppliers

2-THIAZOLECARBOTHIOAMIDE, 4-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)C(=S)N

Technology Process of 4-Phenyl-1,3-thiazole-2-carbothioamide

There total 1 articles about 4-Phenyl-1,3-thiazole-2-carbothioamide 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:

methyl 4-phenylthiazole-2-carboxylate (79247-92-0) → 4-Phenyl-thiazole-2-carbothioic acid amide (214352-08-6)

Guidance literature:

With Lawessons reagent; ammonia; Multistep reaction; 1.) water; 2.) toluene, 100 deg C;

DOI:10.1016/S0040-4039(00)80394-9

Reference yield: 98.0%

3-(2-bromoacetyl)pyridine hydrobromide (17694-68-7) + 4-Phenyl-thiazole-2-carbothioic acid amide (214352-08-6) → 4'-Phenyl-4-pyridin-3-yl-[2,2']bithiazolyl; hydrobromide (121608-79-5)

Guidance literature:

In ethanol; for 2h; Heating;

upstream raw materials:

methyl 4-phenylthiazole-2-carboxylate

Downstream raw materials:

4'-Phenyl-4-pyridin-3-yl-[2,2']bithiazolyl; hydrobromide