5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 121519-86-6
• Molecular Formula: C6H11 N3 S
• Molecular Weight: 157.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60397347
• Wikidata: Q82198608
• Mol file: 121519-86-6.mol

Synonyms:5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol;121519-86-6;3-methyl-4-propyl-1H-1,2,4-triazole-5-thione;DTXSID60397347;BBL017182;MFCD03423401;STK441889;AKOS003312976;AT31116;VS-05925;CS-0308444;EN300-120261

Chemical Property of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 0.44mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 194.5°C at 760 mmHg
• Flash Point: 71.4°C
• PSA: 69.51000
• Density: 1.23g/cm³
• LogP: 1.28520
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.06736854
• Heavy Atom Count: 10
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

5-Methyl-4-propyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=NNC1=S)C