4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 139614-67-8
• Molecular Formula: C13H11N3S2
• Molecular Weight: 273.37700
• DSSTox Substance ID: DTXSID901333722
• ChEMBL ID: CHEMBL1456096
• Mol file: 139614-67-8.mol

Synonyms:4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol;139614-67-8;4-benzyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione;MLS001006385;SMR000349340;4-BENZYL-5-(2-THIENYL)-1,2,4-TRIAZOLE-3-THIOL;Oprea1_516086;SCHEMBL1544467;CHEMBL1456096;BDBM51995;cid_2383141;DTXSID901333722;HMS2712K22;MFCD03655074;AKOS000116342;MS-8608;CS-0219239;EN300-03499;AB00590714-02;SR-01000035784;SR-01000035784-1;Z56277801;4-benzyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thione;4-(phenylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione;4-Benzyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione;4-benzyl-5-(thiophene-2-yl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

Chemical Property of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• PSA: 93.94000
• LogP: 3.71750
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 273.03943971
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CS3

Technology Process of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

There total 3 articles about 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol 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:

N-benzyl-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide (139614-66-7) → 4-benzyl-5-(thiophene-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (139614-67-8)

Guidance literature:

With caesium carbonate; In ethanol; Heating;

DOI:10.1016/j.bmcl.2009.10.043

Reference yield:

2-thienylhydrazide (2361-27-5) → 4-benzyl-5-(thiophene-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (139614-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethyl ether / 48 h / 20 °C

2.1: sodium hydroxide / 2 h / Reflux

2.2: 20 °C

With sodium hydroxide; In diethyl ether;

DOI:10.3109/14756366.2015.1039531

Reference yield:

Benzyl isothiocyanate (622-78-6) → 4-benzyl-5-(thiophene-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (139614-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethyl ether / 48 h / 20 °C

2.1: sodium hydroxide / 2 h / Reflux

2.2: 20 °C

With sodium hydroxide; In diethyl ether;

DOI:10.3109/14756366.2015.1039531

upstream raw materials:

N-benzyl-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide

2-thienylhydrazide

Benzyl isothiocyanate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 139614-67-8 4-BENZYL-5-(2-THIENYL)-1,2,4-TRIAZOLE-3-THIOL

Send

Send

Metric Ton KG G Pound L ML

Send

Send