1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate

Base Information

• Chemical Name: 1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate
• CAS No.: 102367-68-0
• Molecular Formula: C8H7 N3 S . Cl H
• Molecular Weight: 213.691
• DSSTox Substance ID: DTXSID80144971
• Mol file: 102367-68-0.mol

Synonyms:L 1460;1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate;2-Amino-5-phenyl-1,3,4-thiadiazole hydrochloride hydrate;2-Amino-5-fenil-1,3,4-tiadiazolo cloridrato idrato [Italian];2-Amino-5-fenil-1,3,4-tiadiazolo cloridrato idrato;102367-68-0;C8H7N3S.ClH.H2O;DTXSID80144971;C8-H7-N3-S.Cl-H.H2-O;LS-150255

Chemical Property of 1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate

Chemical Property:

• Vapor Pressure: 2.45E-05mmHg at 25°C
• Boiling Point: 359°C at 760 mmHg
• Flash Point: 170.9°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 231.0233108
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(S2)N.O.Cl

Technology Process of 1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate

There total 2 articles about 1,3,4-Thiadiazole, 2-amino-5-phenyl-, hydrochloride, hydrate 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: 61.0%

1-benzylidene thiosemicarbazide (1627-73-2) → 2-amino-5-phenyl-1,3,4-thiadiazole hydrochloride (102367-68-0)

Guidance literature:

With iron(III) chloride; In water; at 90 ℃;

DOI:10.1039/P19810000356

Reference yield: 17.0%

1-chloro-1,4-diphenyl-4-thiocyanato-2,3-diazabutadiene (77436-13-6) → 2,5-bis-(phenyl)-1,3,4-oxadiazole (725-12-2) + 2-amino-5-phenyl-1,3,4-thiadiazole hydrochloride (102367-68-0) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With hydrogenchloride; In ethanol; for 2h; Heating;

DOI:10.1039/P19810000356

Reference yield:

2-amino-5-phenyl-1,3,4-thiadiazole hydrochloride (102367-68-0) → 3-(5-phenyl-[1,3,4]thiadiazol-2-yl)-1-(toluene-4-sulfonyl)-imidazolidine-2,4-dione (13281-76-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: pyridine

In pyridine; ethanol;

upstream raw materials:

1-benzylidene thiosemicarbazide

1-chloro-1,4-diphenyl-4-thiocyanato-2,3-diazabutadiene

Downstream raw materials:

1-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-phenylurea

3-(5-phenyl-[1,3,4]thiadiazol-2-yl)-1-(toluene-4-sulfonyl)-imidazolidine-2,4-dione

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