1-Naphthalen-2-yl-1H-tetrazole-5-thiol

Base Information

• Chemical Name: 1-Naphthalen-2-yl-1H-tetrazole-5-thiol
• CAS No.: 38560-12-2
• Molecular Formula: C₁₁H₈N₄S
• Molecular Weight: 228.277
• Hs Code.: 2933990090
• European Community (EC) Number: 684-286-8
• DSSTox Substance ID: DTXSID10357214
• Wikidata: Q82137024
• Mol file: 38560-12-2.mol

Synonyms:1-Naphthalen-2-yl-1H-tetrazole-5-thiol;38560-12-2;BAS 03606605;SCHEMBL8659110;DTXSID10357214;AKOS000631582;SR-01000318452;SR-01000318452-1

Chemical Property of 1-Naphthalen-2-yl-1H-tetrazole-5-thiol

Chemical Property:

• PSA: 82.40000
• LogP: 2.10420
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.04696745
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

1-NAPHTHALEN-2-YL-1H-TETRAZOLE-5-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)N3C(=S)N=NN3

Technology Process of 1-Naphthalen-2-yl-1H-tetrazole-5-thiol

There total 3 articles about 1-Naphthalen-2-yl-1H-tetrazole-5-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:

2-naphthyl isothiocyanate (1636-33-5) → 1-[2]naphthyl-1,4-dihydro-tetrazolethione (38560-12-2)

Guidance literature:

With sodium azide;

Reference yield:

[2]naphthyl-dithiocarbamic acid methyl ester → 1-[2]naphthyl-1,4-dihydro-tetrazolethione (38560-12-2)

Guidance literature:

With sodium azide;

Reference yield:

2-naphthyl isothiocyanate (1636-33-5) → C11H8N4S (38560-12-2)

Guidance literature:

With sodium azide; Reflux;

DOI:10.1007/s10870-013-0414-1

upstream raw materials:

2-naphthyl isothiocyanate