3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol

Base Information

• Chemical Name: 3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
• CAS No.: 299465-13-7
• Molecular Formula: C₈H₇N₃OS
• Molecular Weight: 193.229
• DSSTox Substance ID: DTXSID001194040
• Nikkaji Number: J3.218.959H
• Mol file: 299465-13-7.mol

Synonyms:3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol;299465-13-7;5-(3-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione;SCHEMBL5637842;DTXSID001194040;AKOS005588970;AKOS009345130;VS-09351;1,2-Dihydro-5-(3-hydroxyphenyl)-3H-1,2,4-triazole-3-thione

Chemical Property of 3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.03098303
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)C2=NC(=S)NN2

Technology Process of 3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol

There total 1 articles about 3-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol 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: 91.0%

3-[4-benzyl-5-(phenylsulfanyl)-4H-1,2,4-triazol-3-yl]phenol (1448538-35-9) → C8H7N3OS (299465-13-7)

Guidance literature:

With aluminum (III) chloride; In toluene; at 60 ℃; for 4h;

DOI:10.1016/j.tetlet.2013.06.067

upstream raw materials:

3-[4-benzyl-5-(phenylsulfanyl)-4H-1,2,4-triazol-3-yl]phenol