4-(2,2-dimethoxyethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-(2,2-dimethoxyethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 136745-20-5
• Molecular Formula: C12H15N3O2S
• Molecular Weight: 265.33
• DSSTox Substance ID: DTXSID50372567
• Wikidata: Q82160350
• Mol file: 136745-20-5.mol

Synonyms:136745-20-5;4-(2,2-dimethoxyethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol;4-(2,2-dimethoxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thione;Maybridge4_004472;DTXSID50372567;CJEIRWZHMRYHDH-UHFFFAOYSA-N;HMS1533L06;CCG-255998;FT-0707808;SR-01000004617;SR-01000004617-1

Chemical Property of 4-(2,2-dimethoxyethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 4.03E-05mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 351.7°Cat760mmHg
• PKA: 8.00±0.20(Predicted)
• Flash Point: 166.5°C
• PSA: 87.97000
• Density: 1.26g/cm³
• LogP: 1.85270
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 265.08849790
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

98%min ^*data from raw suppliers

4-(2,2-DIMETHOXYETHYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CN1C(=NNC1=S)C2=CC=CC=C2)OC