5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 261946-00-3
• Molecular Formula: C17H19 N3 O S
• Molecular Weight: 313.42
• DSSTox Substance ID: DTXSID70352043
• Wikidata: Q82128986
• Mol file: 261946-00-3.mol

Synonyms:261946-00-3;5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;5-(4-(tert-Butyl)phenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione;5-[4-(tert-butyl)phenyl]-4-(2-furylmethyl)-4H-1,2,4-triazole-3-thiol;5-[4-(tert-Butyl)phenyl]-4-(2-furyl methyl)-4H-1,2,4-triazole-3-thiol;Cyto11D4;Maybridge1_008561;HMS565N03;DTXSID70352043;CCG-23993;MFCD00177382;AKOS000122366;AKOS001680036;CCG-254514;UPCMLD0ENAT0519-8167:001;CS-0221174;FT-0644155;EN300-08504;Z56943715;5-(4-tert-Butyl-phenyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazole-3-thiol;5-(4-tert-butylphenyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol;5-(4-tert-Butylphenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione;3-(4-TERT-BUTYLPHENYL)-4-[(FURAN-2-YL)METHYL]-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE

Chemical Property of 5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 6.52E-07mmHg at 25°C
• Refractive Index: 1.629
• Boiling Point: 409.4°Cat760mmHg
• PKA: 8.10±0.20(Predicted)
• Flash Point: 201.4°C
• PSA: 82.65000
• Density: 1.21g/cm³
• LogP: 4.17260
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 313.12488341
• Heavy Atom Count: 22
• Complexity: 449

Purity/Quality:

98%min ^*data from raw suppliers

MC003026:5-(4-tert-Butyl-phenyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazole-3-thiol 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3