2-(1-Phenyltetrazol-5-yl)sulfanylacetamide

Base Information

• Chemical Name: 2-(1-Phenyltetrazol-5-yl)sulfanylacetamide
• CAS No.: 138841-20-0
• Molecular Formula: C9H9N5OS
• Molecular Weight: 235.26600
• DSSTox Substance ID: DTXSID10351999
• Wikidata: Q82128887
• Mol file: 138841-20-0.mol

Synonyms:138841-20-0;2-(1-phenyltetrazol-5-yl)sulfanylacetamide;Acetamide, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-;2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamide;2-[(1-Phenyl-1H-tetrazol-5-yl)thio]acetamide;TimTec1_001863;CBDivE_001605;DTXSID10351999;HMS1539E15;STK188042;AKOS000295364;CCG-103464;SDCCGMLS-0065432.P001;2-(1-phenyl-1H-tetrazol-5-ylthio)acetamide;CS-0306646;AI-204/31688003;SR-01000390535;2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide;2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide;SR-01000390535-1;BRD-K64930843-001-01-5;Z19657238;F0212-0072;2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

Chemical Property of 2-(1-Phenyltetrazol-5-yl)sulfanylacetamide

Chemical Property:

• PSA: 112.98000
• LogP: 1.38940
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.05278110
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

2-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]ACETAMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N

Technology Process of 2-(1-Phenyltetrazol-5-yl)sulfanylacetamide

There total 2 articles about 2-(1-Phenyltetrazol-5-yl)sulfanylacetamide 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: 76.6%

methyl (1-phenyltetrazol-5-ylthio)acetate (3206-49-3) → (1-phenyltetrazol-5-ylthio)acetamide (138841-20-0)

Guidance literature:

With ammonium hydroxide; In ethanol; for 2h;

Reference yield:

1-Phenyl-1H-tetrazole-5-thiol (86-93-1) → (1-phenyltetrazol-5-ylthio)acetamide (138841-20-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 47.6 percent / sodium ethoxide / ethanol / 1 h / Heating

2: 76.6 percent / aq. NH₃ / ethanol / 2 h

With ammonium hydroxide; sodium ethanolate; In ethanol;

upstream raw materials:

methyl (1-phenyltetrazol-5-ylthio)acetate

1-Phenyl-1H-tetrazole-5-thiol