5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 491647-37-1
• Molecular Formula: C12H14ClN3OS
• Molecular Weight: 283.78
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10357693
• Wikidata: Q82137716
• Mol file: 491647-37-1.mol

Synonyms:491647-37-1;5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol;3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione;ART-CHEM-BB B018122;5-((4-Chloro-3-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol;Oprea1_843288;SCHEMBL6410076;DTXSID10357693;BBL016821;MFCD02745536;STK435255;AKOS000659722;NCGC00324281-01;VS-05598;CS-0317728;AB01319666-02

Chemical Property of 5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 3.16E-06mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 388°C at 760 mmHg
• Flash Point: 188.5°C
• PSA: 78.74000
• Density: 1.34g/cm³
• LogP: 3.12750
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 283.0546109
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Chloro-3-methylphenoxy)methyl]-4-ethyl-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)COC2=CC(=C(C=C2)Cl)C