5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 124998-68-1
• Molecular Formula: C18H18 Cl N3 S
• Molecular Weight: 343.87
• DSSTox Substance ID: DTXSID10366220
• Wikidata: Q82151350
• Mol file: 124998-68-1.mol

Synonyms:124998-68-1;5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;5-(4-tert-Butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol;5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione;5-(4-(tert-Butyl)phenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;Maybridge1_008558;SCHEMBL3737642;HMS565M22;DTXSID10366220;XKULROXVGOGMDR-UHFFFAOYSA-N;MFCD00177232;AKOS000268582;UPCMLD0ENAT0519-3439:001;CS-0220565;FT-0619900;EN300-06952;Z56276763;5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3thiol;5-(4-tert-Butylphenyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 5.45E-08mmHg at 25°C
• Melting Point: 245-249
• Refractive Index: 1.637
• Boiling Point: 441.4°Cat760mmHg
• Flash Point: 220.8°C
• PSA: 69.51000
• Density: 1.23g/cm³
• LogP: 5.17390
• Sensitive.: Stench
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 343.0909965
• Heavy Atom Count: 23
• Complexity: 469

Purity/Quality:

98%Min ^*data from raw suppliers

5-[4-(TERT-BUTYL)PHENYL]-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl