Ethyl 5-sulfanyl[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-sulfanyl[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
• CAS No.: 519056-58-7
• Molecular Formula: C12H10N4O2S
• Molecular Weight: 274.3
• DSSTox Substance ID: DTXSID60384676
• Wikidata: Q82176977
• ChEMBL ID: CHEMBL1329724
• Mol file: 519056-58-7.mol

Synonyms:519056-58-7;ethyl 5-sulfanyl[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate;Ethyl 5-mercapto-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate;ethyl 5-sulfanylidene-1H-triazolo[1,5-a]quinazoline-3-carboxylate;HMS1664O20;MLS001181991;CHEMBL1329724;DTXSID60384676;REGID_for_CID_2816375;MFCD03644081;CCG-251327;SMR000567683;FT-0626136;Ethyl5-mercapto-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate;Ethyl 5-sulfanylidene-1,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

Chemical Property of Ethyl 5-sulfanyl[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

Chemical Property:

• Melting Point: 171 °C
• Refractive Index: 1.759
• PSA: 108.18000
• Density: 1.55g/cm³
• LogP: 1.74290
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 274.05244675
• Heavy Atom Count: 19
• Complexity: 488

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL 5-SULFANYL[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NNN2C1=NC(=S)C3=CC=CC=C32