4-allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 667437-95-8
• Molecular Formula: C12H12ClN3S
• Molecular Weight: 265.76
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10404575
• Wikidata: Q82208847
• Mol file: 667437-95-8.mol

Synonyms:4-allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol;667437-95-8;ART-CHEM-BB B018024;3-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;5-[(4-chlorophenyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;DTXSID10404575;MFCD03900747;AKOS003313499;VS-05983;CS-0322686

Chemical Property of 4-allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 360.1°C at 760 mmHg
• Flash Point: 171.6°C
• PSA: 69.51000
• Density: 1.28g/cm³
• LogP: 2.99700
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 265.0440463
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

98%min ^*data from raw suppliers

4-Allyl-5-(4-chlorobenzyl)-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: C=CCN1C(=NNC1=S)CC2=CC=C(C=C2)Cl