4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 305337-12-6
• Molecular Formula: C11H13 N3 S
• Molecular Weight: 219.31
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50355012
• Wikidata: Q82133590
• Mol file: 305337-12-6.mol

Synonyms:305337-12-6;4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol;4-Ethyl-5-m-tolyl-4H-[1,2,4]triazole-3-thiol;4-Ethyl-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol;4-ethyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione;4-ETHYL-5-M-TOLYL-4H-(1,2,4)TRIAZOLE-3-THIOL;SCHEMBL1545238;DTXSID50355012;BBL013330;MFCD01163894;STK116204;AKOS000100165;AKOS000348008;VS-03755;BB 0217273;CS-0307799;FT-0677204;EN300-07684;4-ethyl-5-m-tolyl-4H-1,2,4-triazole-3-thiol;AB00100209-01;Z56964594;4-Ethyl-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 0.00055mmHg at 25°C
• Boiling Point: 311.8°Cat760mmHg
• PKA: 8.45±0.20(Predicted)
• Flash Point: 142.4°C
• PSA: 69.51000
• Density: 1.21g/cm³
• LogP: 2.56210
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.08301860
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NNC1=S)C2=CC=CC(=C2)C