5,5'-Dithiobis(1-phenyl-1H-tetrazole)

Base Information

• Chemical Name: 5,5'-Dithiobis(1-phenyl-1H-tetrazole)
• CAS No.: 5117-07-7
• Molecular Formula: C14H10N8S2
• Molecular Weight: 354.419
• Hs Code.: 2933990090
• European Community (EC) Number: 225-852-2
• DSSTox Substance ID: DTXSID8063705
• Nikkaji Number: J203.313E
• Wikidata: Q72470193
• Mol file: 5117-07-7.mol

Synonyms:5,5'-Dithiobis(1-phenyl-1H-tetrazole);5117-07-7;1,2-bis(1-phenyl-1H-tetrazol-5-yl)disulfane;1,1-Diphenyl-bistetrazole-5,5-disulfide;1H-Tetrazole, 5,5'-dithiobis[1-phenyl-;1-phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole;5,5'-Disulphanediylbis(1-phenyl-1H-tetrazole);5,5'-disulfanediylbis(1-phenyl-1H-tetrazole);5,5'-Dithiobis[1-phenyl-1H-tetrazole];1H-Tetrazole, 5,5'-dithiobis(1-phenyl-;1,1'-Diphenyl-5,5'-dithiobistetrazole;5,5-Dithiobis(1-Phenyl-1H-Tetrazole);SCHEMBL2395370;DTXSID8063705;HMS1652C09;5,5 inverted exclamation marka-Dithiobis(1-phenyl-1H-tetrazole);EINECS 225-852-2;MFCD00134361;STK806407;AKOS002237735;AS-13551;bis-(1-phenyl-1H-tetrazol-5-yl) disulfide;bis-(1-phenyl-1H-tetrazol-5-yl) disulphide;CS-0453113;5,5'-Dithiobis(1-phenyl-1H-tetrazole), 95%;SR-01000009820;1,1'-Diphenyl(1,2,3,4-tetraazol-5-yl) disulfide;SR-01000009820-1;W-105915;F0896-0341

Chemical Property of 5,5'-Dithiobis(1-phenyl-1H-tetrazole)

Chemical Property:

• Vapor Pressure: 3.15E-15mmHg at 25°C
• Melting Point: 145 °C (dec.)(lit.)
• Refractive Index: 1.84
• Boiling Point: 618.6 °C at 760 mmHg
• PKA: -0.03±0.10(Predicted)
• Flash Point: 327.9 °C
• PSA: 137.80000
• Density: 1.59g/cm³
• LogP: 2.43740
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 354.04698470
• Heavy Atom Count: 24
• Complexity: 355

Purity/Quality:

98.0%min ^*data from raw suppliers

5,5′-Dithiobis(1-phenyl-1H-tetrazole) 95% ^*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)SSC3=NN=NN3C4=CC=CC=C4
• Uses: 5,5′-Dithiobis(1-phenyl-1H-tetrazole) may be used in the preparation of 5-(5-nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole.

Technology Process of 5,5'-Dithiobis(1-phenyl-1H-tetrazole)

There total 5 articles about 5,5'-Dithiobis(1-phenyl-1H-tetrazole) 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: 96.0%

1-Phenyl-1H-tetrazole-5-thiol (86-93-1) → 5,5'-dithiobis(1-phenyl-1H-tetrazole) (5117-07-7)

Guidance literature:

With sodium periodate; In water; at 20 ℃; for 0.0333333h;

DOI:10.3390/12030694

Reference yield: 61.0%

1-phenyl-1H-tetrazole-5-thiol (86-93-1) → 5,5'-dithiobis(1-phenyl-1H-tetrazole) (5117-07-7)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; In chloroform; water; at 20 ℃; for 3.5h;

Reference yield:

phenyl isothiocyanate (103-72-0) → 5,5'-dithiobis(1-phenyl-1H-tetrazole) (5117-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / 5 h / Reflux

2: dihydrogen peroxide / water; ethanol / 2 h / 60 °C

With sodium azide; dihydrogen peroxide; In ethanol; water;

DOI:10.1002/adfm.201203374

upstream raw materials:

1-phenyl-1H-tetrazole-5-thiol

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

5-anilino-1,2,3,4-thiatriazole

4-Phenyl-3-thiosemicarbazide

Downstream raw materials:

1-phenyl-5-tetrazolylsulfenyl bromide

5-(cyclohexylthio)-1-phenyl-1H-tetrazole

5-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-1-phenyl-5-thiotetrazole

Refernces

• 1、 Song, Jiang-Feng,Wang, Jun,Li, Si-Zhe,Li, Yang,Zhou, Rui-Sha. "Five new complexes based on 1-phenyl-1H-tetrazole-5-thiol: Synthesis, structural characterization and properties". . p. 1 - 7. Retrieved 2017.
• 2、 Shu, Ting,Li, Xiong,Ku, Zhi-Liang,Wang, Shi,Wu, Shi,Jin, Xiao-Hong,Hu, Chun-Di. "Improved efficiency of CdS quantum dot sensitized solar cell with an organic redox couple and a polymer counter electrode". . p. 700 - 704. Retrieved 2014/12/11.