3-(Hexylthio)-1H-1,2,4-triazole

Base Information

• Chemical Name: 3-(Hexylthio)-1H-1,2,4-triazole
• CAS No.: 74682-60-3
• Molecular Formula: C8H15 N3 S
• Molecular Weight: 185.29
• European Community (EC) Number: 277-967-2
• UNII: U7YR6H7SU6
• DSSTox Substance ID: DTXSID20225657
• Nikkaji Number: J349.448I
• Wikidata: Q83104722
• Mol file: 74682-60-3.mol

Synonyms:74682-60-3;3-(Hexylthio)-1H-1,2,4-triazole;3-n-Hexylthio-1,2,4-triazole;5-hexylsulfanyl-1H-1,2,4-triazole;3-HEXYLTHIO-1,2,4-TRIAZOLE;U7YR6H7SU6;EINECS 277-967-2;UNII-U7YR6H7SU6;SCHEMBL6566465;SCHEMBL9836459;DTXSID20225657;MFCD02683096;AKOS024348838;FT-0615786;1H-1,2,4-TRIAZOLE, 5-(HEXYLTHIO)-;3-(HEXYLSULFANYL)-4H-1,2,4-TRIAZOLE

Chemical Property of 3-(Hexylthio)-1H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Melting Point: 65-68°C
• Boiling Point: 334.1°C at 760 mmHg
• Flash Point: 155.9°C
• Density: 1.1g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 185.09866866
• Heavy Atom Count: 12
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

3-HEXYLTHIO-1,2,4-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSC1=NC=NN1