2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide

Base Information

• Chemical Name: 2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide
• CAS No.: 19201-39-9
• Molecular Formula: C17H16 N2 O S2
• Molecular Weight: 328.459
• European Community (EC) Number: 242-876-9
• DSSTox Substance ID: DTXSID50940846
• Mol file: 19201-39-9.mol

Synonyms:EINECS 242-876-9;2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide;19201-39-9;C17H16N2OS2;DTXSID50940846;2-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-N-phenylethanethioamide;(6-Methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-N-phenylethanethioamide

Chemical Property of 2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide

Chemical Property:

• Vapor Pressure: 1.97E-08mmHg at 25°C
• Boiling Point: 454°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 86.52000
• Density: 1.373g/cm³
• LogP: 3.82250
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 328.07040549
• Heavy Atom Count: 22
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)OC)SC1=CC(=S)NC3=CC=CC=C3

Technology Process of 2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide

There total 1 articles about 2-(6-Methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide 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-methoxy-2-methylbenzothiazole (2941-72-2) + methyl p-toluene sulfonate (80-48-8) → (6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)-thioacetic acid anilide (19201-39-9)

Guidance literature:

With methanol; anschliessend Behandeln mit Phenylisothiocyanat und Triaethylamin;

upstream raw materials:

6-methoxy-2-methylbenzothiazole

methyl p-toluene sulfonate

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