5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 833-47-6
• Molecular Formula: C8H6N4O2S
• Molecular Weight: 222.227
• Hs Code.: 2934999090
• NSC Number: 83130
• DSSTox Substance ID: DTXSID20292480
• Wikidata: Q82030799
• ChEMBL ID: CHEMBL1299882
• Mol file: 833-47-6.mol

Synonyms:5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine;833-47-6;5-(3-nitrophenyl)[1,3,4]thiadiazol-2-ylamine;CHEMBL1299882;5-(3-Nitro-phenyl)-[1,3,4]thiadiazol-2-ylamine;2-Amino-5-(m-nitrophenyl)-1,3,4-thiadiazole;2-amino-5-(3-nitrophenyl)-1,3,4-thiadiazole;NSC83130;5-(3-nitrophenyl)-1,3,4-thiadiazole-2-ylamine;MLS000711283;SCHEMBL367666;DTXSID20292480;HMS2628C17;BBL020416;BDBM50502111;MFCD00453655;NSC-83130;STK731237;AKOS000225418;NCGC00245159-01;CS-10900;SMR000281050;BB 0254431;CS-0124542;2-(m-Nitrophenyl)-5-amino-1,3,4-thiadiazole;C76665;1,3,4-Thiadiazol, 2-amino-5-(m-nitrophenyl)-;1,3,4-Thiadiazol-2-amine, 5-(3-nitrophenyl)-;1,3,4-Thiadiazole, 2-amino-5-(m-nitrophenyl)-;2-Amino-5-( 3-nitrophenyl)-1,3,4-thiadiazole;5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine #;A917417;SR-01000512660;5-(3-nitro-phenyl)-[1,3,4]thiadiazol -2-ylamine;SR-01000512660-1;5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine, AldrichCPR

Chemical Property of 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• Vapor Pressure: 4.09E-08mmHg at 25°C
• Boiling Point: 445°Cat760mmHg
• Flash Point: 222.9°C
• PSA: 125.86000
• Density: 1.535g/cm³
• LogP: 2.79990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 222.02114662
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N

Technology Process of 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine

There total 8 articles about 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine 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: 89.0%

2-(3-nitrobenzylidene)hydrazinecarbothioamide (5706-76-3) → 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine (833-47-6)

Guidance literature:

With iron(III) chloride; In water; for 0.05h; Microwave irradiation; Sonication; Green chemistry;

DOI:10.1007/s00706-012-0846-x

Reference yield: 88.0%

thiosemicarbazide (79-19-6) + 3-nitrobenzonitrile (619-24-9) → 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine (833-47-6)

Guidance literature:

With PPA; at 95 - 100 ℃; for 6h;

DOI:10.1007/BF00707235

Reference yield: 75.9%

thiosemicarbazide (79-19-6) + 3-nitrobenzoic acid (121-92-6) → 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine (833-47-6)

Guidance literature:

With trichlorophosphate; at 0 - 5 ℃; for 4.5h; Reflux;

DOI:10.3184/174751911X13230201951890

upstream raw materials:

2-(3-nitrobenzylidene)hydrazinecarbothioamide

3-nitro-benzimidic acid methyl ester; hydrochloride

thiosemicarbazide

1-(3-nitrobenzoyl)-3-thiosemicarbazide

Refernces

• 1、 -. "N-(5-phenyl-1, 3, 4-thiadiazole-2-yl) benzamide compound". Paragraph 0051; 0057; 0108-0110. . Retrieved 2021/06/09.
• 2、 Patel, Harun,Jadhav, Harsha,Ansari, Iqrar,Pawara, Rahul,Surana, Sanjay. "Pyridine and nitro-phenyl linked 1,3,4-thiadiazoles as MDR-TB inhibitors". . p. 1 - 9. Retrieved 2019/02/14.