1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione

Base Information

• Chemical Name: 1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione
• CAS No.: 15182-67-9
• Molecular Formula: C8H8 N4 O S
• Molecular Weight: 208.244
• Hs Code.: 2933990090
• European Community (EC) Number: 239-231-9
• DSSTox Substance ID: DTXSID50164883
• Nikkaji Number: J218.364A
• Mol file: 15182-67-9.mol

Synonyms:15182-67-9;1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione;1-(2-methoxyphenyl)-1H-tetrazole-5-thiol;1-(2-methoxyphenyl)-2H-tetrazole-5-thione;EINECS 239-231-9;1-(2-methoxyphenyl)-1H-1,2,3,4-tetrazole-5-thiol;1-(2-methoxyphenyl)tetrazole-5-thiol;SCHEMBL8653700;DTXSID50164883;MFCD00834221;STL283118;AKOS000297351;CCG-277184;CS-0220991;EN300-08089;Z56921539;1,2-Dihydro-1-(2-methoxyphenyl)-5H-tetrazole-5-thione;1-(2-methoxyphenyl)-1,4-dihydro-5h-tetrazole-5-thione;1-(2-methoxyphenyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

Chemical Property of 1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione

Chemical Property:

• Vapor Pressure: 0.00228mmHg at 25°C
• Melting Point: 165 °C (decomp)
• Boiling Point: 288.9°Cat760mmHg
• PKA: -3.20±0.20(Predicted)
• Flash Point: 128.5°C
• PSA: 87.82000
• Density: 1.45g/cm³
• LogP: 1.33350
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.04188206
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

1-(2-methoxyphenyl)-1H-1,2,3,4-tetrazole-5-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2C(=S)N=NN2

Technology Process of 1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione

There total 9 articles about 1,2-Dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione 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: 33.82%

1-isothiocyanato-2-methoxybenzene (3288-04-8) → 1-(2-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (15182-67-9)

Guidance literature:

1-isothiocyanato-2-methoxybenzene; With sodium azide; In water; for 2h; Reflux;

With hydrogenchloride; In water; pH=2;

DOI:10.1134/S1070328419020039

Reference yield:

5-(o-anisylamino)-1,2,3,4-thiatriazole (66654-58-8) → 1-(2-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (15182-67-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1139/v57-116

Reference yield:

(2-methoxy-phenyl)-dithiocarbamic acid methyl ester (854902-49-1) → 1-(2-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (15182-67-9)

Guidance literature:

With sodium azide;

upstream raw materials:

5-(o-anisylamino)-1,2,3,4-thiatriazole

(2-methoxy-phenyl)-dithiocarbamic acid methyl ester

1-isothiocyanato-2-methoxybenzene

(2-methoxy-phenyl)-dithiocarbamic acid ; compound with triethylamine

Downstream raw materials:

1-(2-methoxy-phenyl)-4-morpholin-4-ylmethyl-1,4-dihydro-tetrazole-5-thione

C₁₈H₁₈N₄O₄S

5-[(3,5-dinitrobenzyl)sulfanyl]-1-(2-methoxyphenyl)-1H-tetrazole

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