(E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one

Base Information

• Chemical Name: (E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one
• CAS No.: 88674-82-2
• Molecular Formula: C₉H₇NO₂S₂
• Molecular Weight: 225.292
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60392337
• Mol file: 88674-82-2.mol

Synonyms:5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one;4-Thiazolidinone,5-[(5-methyl-2-furanyl)methylene]-2-thioxo-;(5-methylfurfurylidene)rhodanine;DTXSID60392337;UIWYMDIBJKBBKW-UHFFFAOYSA-N;AKOS030653232;SB61298;FT-0679535

Chemical Property of (E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one

Chemical Property:

• Refractive Index: 1.698
• PSA: 106.67000
• Density: 1.47g/cm³
• LogP: 1.92370
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.99182081
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

98%min ^*data from raw suppliers

(5E)-2-Mercapto-5-[(5-methyl-2-furyl)methylene]-1,3-thiazol-4(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C=C2C(=O)NC(=S)S2

Technology Process of (E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one

There total 2 articles about (E)-2-Mercapto-5-((5-methylfuran-2-yl)methylene)thiazol-4(5H)-one 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: 95.0%

5-Methylfurfural (620-02-0) + 2-thioxo-4-thiazolidinone (141-84-4) → 5-methylfurfuralrhodanine (88674-82-2)

Guidance literature:

With sodium acetate; In acetic acid; for 0.5h; Heating;

DOI:10.1016/0039-128X(83)90105-8

Reference yield:

5-Methylfurfural (620-02-0) + 2-thioxo-4-thiazolidinone (141-84-4) → C9H7NO2S2 (88674-82-2)

Guidance literature:

With sodium acetate; In acetic acid; Reflux;

DOI:10.1016/j.carres.2010.04.011

Reference yield:

5-methylfurfuralrhodanine (88674-82-2) → (5-methyl-[2]furyl)-acetic acid (72360-04-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) 15percent NaOH, 2) 10percent HCl / 1) 100 deg C, 5 min, 2) 0 deg C

2: Na, NH₂OH*HCl / ethanol / 0.5 h / Heating

3: 88 percent / Ac₂O / Heating

4: 94 percent / 18percent KOH / 0.17 h / Heating

With hydrogenchloride; potassium hydroxide; sodium hydroxide; hydroxylamine hydrochloride; sodium; acetic anhydride; In ethanol;

DOI:10.1016/0039-128X(83)90105-8

upstream raw materials:

5-Methylfurfural

2-thioxo-4-thiazolidinone

Downstream raw materials:

(5-methyl-[2]furyl)-acetic acid

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