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

Base Information

• Chemical Name: 3-(Heptylthio)-1H-1,2,4-triazole
• CAS No.: 74682-50-1
• Molecular Formula: C9H17 N3 S
• Molecular Weight: 199.31638
• European Community (EC) Number: 277-966-7
• UNII: 8WTL6TNM1R
• DSSTox Substance ID: DTXSID60225656
• Nikkaji Number: J349.447K
• Wikidata: Q83104720
• ChEMBL ID: CHEMBL3732277
• Mol file: 74682-50-1.mol

Synonyms:3-(Heptylthio)-1H-1,2,4-triazole;74682-50-1;8WTL6TNM1R;EINECS 277-966-7;3-(Heptylthio)-1,2,4-triazole;UNII-8WTL6TNM1R;3-Heptylthio-4(H)-1,2,4-triazole;5-heptylsulfanyl-1H-1,2,4-triazole;CHEMBL3732277;SCHEMBL12204476;DTXSID60225656;AKOS006228906;FT-0615775;1H-1,2,4-TRIAZOLE, 5-(HEPTYLTHIO)-;3-(HEPTYLSULFANYL)-4H-1,2,4-TRIAZOLE

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

Chemical Property:

• Vapor Pressure: 5.56E-05mmHg at 25°C
• Boiling Point: 347°C at 760 mmHg
• Flash Point: 163.6°C
• PSA: 66.87000
• Density: 1.07g/cm³
• LogP: 2.86720
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 199.11431873
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

3-(HEPTYLSULFANYL)-4H-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: CCCCCCCSC1=NC=NN1