1,2,4-Thiadiazol-3-amine

Base Information

• Chemical Name: 1,2,4-Thiadiazol-3-amine
• CAS No.: 56531-89-6
• Molecular Formula: C2H3N3S
• Molecular Weight: 101.1303
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90604112
• Wikidata: Q82501860
• Mol file: 56531-89-6.mol

Synonyms:1,2,4-thiadiazol-3-amine;56531-89-6;1,2,4-Thiadiazol-3-amine(9CI);3-amino-1,2,4-thiadiazole;amino-1,2,4-thiadiazole;3-imino-1,2,4-thiadiazoline;SCHEMBL1327829;SCHEMBL4554692;DTXSID90604112;WGCAJRHEDWDNDN-UHFFFAOYSA-N;AKOS006363945;AT37089;CS-0453629;A831080;J-503785

Chemical Property of 1,2,4-Thiadiazol-3-amine

Chemical Property:

• Vapor Pressure: 0.041mmHg at 25°C
• Melting Point: 100 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.663
• Boiling Point: 238.941 °C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 98.308 °C
• PSA: 80.77000
• Density: 1.495 g/cm³
• LogP: 0.05040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 101.00476828
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

99.3% ^*data from raw suppliers

1,2,4-Thiadiazol-3-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=NS1)N

Refernces

Synthesis of [2,4-bis(arylamino)thiazol-5-yl](1-methyl-1h-benzimidazol-2- yl)methanones

10.1002/jhet.162

The research focuses on the synthesis and characterization of novel analogs of the cytotoxic marine alkaloid dendrodoine. The purpose of this study is to develop new compounds with potential anticancer activity by replacing the 3-amino-1,2,4-thiadiazole unit in dendrodoine with a 2-aminothiazole unit, thereby expanding the scope for substituent manipulation and functionalization. The [4+1] heterocyclization reaction was employed to synthesize the novel 1-methyl-1H-benzimidazole derivatives. The synthesized compounds were characterized by elemental analysis, IR, NMR, and mass spectral data. The study concludes that the synthesized 2,4-bis(arylamino)thiazol-5-ylmethanones exhibit promising anticancer activity at submicromolar concentrations, indicating their potential as new therapeutic agents.

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