Nicothiazone

Base Information

• Chemical Name: Nicothiazone
• CAS No.: 555-90-8
• Molecular Formula: C7H8 N4 S
• Molecular Weight: 180.233
• Hs Code.: 2933990090
• European Community (EC) Number: 209-108-4
• NSC Number: 730
• UNII: 2MR9VJF32M
• DSSTox Substance ID: DTXSID1046392
• NCI Thesaurus Code: C82928
• Metabolomics Workbench ID: 144704
• ChEMBL ID: CHEMBL224265
• Mol file: 555-90-8.mol

Synonyms:SRI 286;SRI-286;SRI286

Chemical Property of Nicothiazone

Chemical Property:

• Vapor Pressure: 5.74E-05mmHg at 25°C
• Melting Point: 225°C (dec.)
• Boiling Point: 346.5°Cat760mmHg
• Flash Point: 163.3°C
• PSA: 95.39000
• Density: 1.32g/cm³
• LogP: 1.33990
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.04696745
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99%, ^*data from raw suppliers

PYRIDINE-3-CARBOXALDEHYDE THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C=NNC(=S)N
• Isomeric SMILES: C1=CC(=CN=C1)/C=N/NC(=S)N

Technology Process of Nicothiazone

There total 6 articles about Nicothiazone 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: 89.0%

3-pyridinecarboxaldehyde (500-22-1) + thiosemicarbazide (79-19-6) → pyridine-3-carbaldehyde thiosemicarbazone (555-90-8)

Guidance literature:

With acetic acid; In ethanol; at 80 ℃; for 3h;

DOI:10.1016/j.ejmech.2017.06.041

Reference yield: 83.0%

3-pyridinecarboxaldehyde (500-22-1) + thiosemicarbazide (79-19-6) → (E)-2-(pyridin-3-ylmethylene)hydrazine-1-carbothioamide (555-90-8)

Guidance literature:

In ethanol; for 12h; Reflux;

DOI:10.1007/s13738-019-01612-7

Reference yield:

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) → pyridine-3-carbaldehyde thiosemicarbazone (555-90-8)

Guidance literature:

With hydrogenchloride; 3,6,9-trioxaundecane; tin(ll) chloride; und anschliessend mit Thiosemicarbazid in heissem Wasser;

DOI:10.1021/jo50001a015

upstream raw materials:

3-pyridinecarboxaldehyde

thiosemicarbazide

pyridine-3-carbonitrile

3-hydroxymethylpyridin

Downstream raw materials:

1-(pyridin-3-ylmethylene)-2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazine

3-benzyl-2-(2-(pyridin-3-ylmethylene)hydrazono)thiazolidin-4-one

1-(4-(4-chlorophenyl)thiazol-2-yl)-2-(pyridin-3-ylmethylene)hydrazine

1-(4-(4-iodophenyl)thiazol-2-yl)-2-(pyridin-3-ylmethylene)hydrazine

Refernces

• 1、 Safari, Reza,Ehsani, Ali,Bigdelo, Mohamad,Mirtamizdoust, Babak. "Enhancing the electrochemical properties of the p-type conductive polymer on the surface of the new synthesized 2-(pyridin-3-ylmethylene) hydrazine-1-carbothioamide-modified electrode: computational and electrochemical study". . p. 1441 - 1449. Retrieved 2019.
• 2、 Ahmad, Zahoor,Arshad, Ifzan,Bahadur, Ali,Channar, Pervaiz Ali,Iqbal, Shahid,Irfan, Rana Muhammad,Javed, Mohsin,Khalid, Bilal,Liu, Guocong,Mahmood, Qaiser,Qayyum, Muhammad Abdul,Raheel, Muhammad,Rizwan, Komal,Saeed, Aamer,Saifullah, Muhammad,Shabir, Ghulam,Shoaib, Muhammad,Ujan, Rabail. "Facile synthesis of novel fluorescent thiazole coumarinyl compounds: Electrochemical, time resolve fluorescence, and solvatochromic study". . . Retrieved 2020/10/27.
• 3、 Channar, Pervaiz Ali,Saeed, Aamer,Afzal, Saira,Hussain, Dilawar,Kalesse, Markus,Shehzadi, Syeda Aaliya,Iqbal, Jamshed. "Hydrazine clubbed 1,3-thiazoles as potent urease inhibitors: design, synthesis and molecular docking studies". . . Retrieved 2020/03/03.