2-Methylthieno[2,3-d]thiazole

Base Information

• Chemical Name: 2-Methylthieno[2,3-d]thiazole
• CAS No.: 61612-02-0
• Molecular Formula: C₆H₅NS₂
• Molecular Weight: 155.244
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00432165
• Nikkaji Number: J2.470.872A
• Wikidata: Q72491298
• Mol file: 61612-02-0.mol

Synonyms:2-Methylthieno[2,3-d]thiazole;61612-02-0;2-methyl thieno[2,3-d]thiazole;2-methylthieno[2,3-d][1,3]thiazole;SCHEMBL2931821;DTXSID00432165;AKOS006273391;FT-0739538;A833331

Chemical Property of 2-Methylthieno[2,3-d]thiazole

Chemical Property:

• Vapor Pressure: 0.06mmHg at 25°C
• Melting Point: 35-36 °C
• Refractive Index: 1.71
• Boiling Point: 240.079 °C at 760 mmHg
• PKA: 2.80±0.40(Predicted)
• Flash Point: 100.969 °C
• PSA: 69.37000
• Density: 1.386 g/cm³
• LogP: 2.66620
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.98634151
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

98% ^*data from raw suppliers

2-Methylthieno[2,3-d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=CS2

Technology Process of 2-Methylthieno[2,3-d]thiazole

There total 7 articles about 2-Methylthieno[2,3-d]thiazole 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: 40.0%

ethanethioate de S-acetylamino-2 thienyle-3 (85930-34-3) → methyl-2 thieno<2,3-d>thiazole (61612-02-0)

Guidance literature:

With zinc; for 2h; Heating;

Reference yield: 37.0%

(E)-methyl (3-methylthio-2-thienyl) O-p-nitrobenzoylketoxime (74598-25-7) → methyl-2 thieno<2,3-d>thiazole (61612-02-0)

Guidance literature:

With sulfuric acid; for 3h; Ambient temperature;

Reference yield:

nitro-2 thienyl-3 thiocyanate (60007-32-1) → methyl-2 thieno<2,3-d>thiazole (61612-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH₄ / 1) EtOH, 2 h, 2) r.t., 2 h

2: 50 percent / Fe (powder) / acetic acid / 18 h / 50 - 55 °C

3: 40 percent / Zn (powder) / 2 h / Heating

With sodium tetrahydroborate; iron; zinc; In acetic acid;

upstream raw materials:

2-acetylamino-3,5-dibromothiophene

ethanethioate de S-acetylamino-2 thienyle-3

(E)-methyl (3-methylthio-2-thienyl) O-p-nitrobenzoylketoxime

nitro-2 thienyl-3 thiocyanate

Refernces

• 1、 Paulmier, Claude,Outurquin, Francis. "Thienyl- et selenienylthiocyanates et selenocyanates. 4. Syntheses de thienothiazoles, de thienothiazines et de quelques analogues selenopheniques". . p. 113 - 119. Retrieved 2007/10/02.