5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 667435-97-4
• Molecular Formula: C12H15N3OS
• Molecular Weight: 249.33
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70359613
• Wikidata: Q82140899
• Mol file: 667435-97-4.mol

Synonyms:667435-97-4;5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol;3-[(4-ethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione;5-((4-Ethylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol;3-((4-ETHYLPHENOXY)METHYL)-4-METHYL-1,2,4-TRIAZOLINE-5-THIONE;DTXSID70359613;BBL015322;MFCD00955159;STK415339;AKOS000294962;AKOS005109380;MS-7480;CS-0319612;SR-01000270560;SR-01000270560-1;3-((4-ethylphenoxy)methyl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione;3-[(4-ethylphenoxy)methyl]-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

Chemical Property:

• Vapor Pressure: 3.05E-05mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 355.8°C at 760 mmHg
• Flash Point: 169°C
• PSA: 78.74000
• Density: 1.23g/cm³
• LogP: 2.24520
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.09358328
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Ethylphenoxy)methyl]-4-methyl-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: CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C