3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate

Base Information

• Chemical Name: 3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate
• CAS No.: 60078-11-7
• Molecular Formula: C7H6N3OS+
• Molecular Weight: 180.2065
• DSSTox Substance ID: DTXSID60515069
• NSC Number: 292688
• Wikidata: Q82375777

Synonyms:60078-11-7;3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate;DTXSID60515069;NSC292688;NSC-292688

Chemical Property of 3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.01533297
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[N+]2=NOC(=N2)[S-]

Technology Process of 3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate

There total 3 articles about 3-Phenyl-1,2,3,4-oxatriazol-3-ium-5-thiolate 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: 18.0%

carbon disulfide (75-15-0,12122-00-8) + phenylhydrazine (100-63-0) → 3-phenyl-1, 2, 3,4-oxatriazolium-5-thiolate (60078-11-7)

Guidance literature:

carbon disulfide; phenylhydrazine; In ethanol;

With hydrogenchloride; sodium nitrite; In chloroform; water;

DOI:10.1002/anie.201708790

Reference yield:

phenylhydrazinium-phenyldithiocarbazate (22027-16-3) → 3-phenyl-1, 2, 3,4-oxatriazolium-5-thiolate (60078-11-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; In chloroform;

DOI:10.1039/c39760000306

Reference yield:

→ 3-phenyl-1, 2, 3,4-oxatriazolium-5-thiolate (60078-11-7)

Guidance literature:

Phenylhydraziniumsalz 12a, NaNO2-HCl;

upstream raw materials:

phenylhydrazinium-phenyldithiocarbazate

carbon disulfide

phenylhydrazine

Downstream raw materials:

3-phenyl-1-thia-2,3,4-thiatriazolium-5-olate

3-phenyl-1,2,3,4-thiatriazol-3-ium-5-thiolate

phenyl(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)amide

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