2-(3-(Heptylthio)-1H-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethan-1-one

Base Information

• Chemical Name: 2-(3-(Heptylthio)-1H-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethan-1-one
• CAS No.: 83803-39-8
• Molecular Formula: C17H23 N3 O2 S
• Molecular Weight: 333.44842
• European Community (EC) Number: 280-856-1
• DSSTox Substance ID: DTXSID901003858
• Nikkaji Number: J296.249G
• Wikidata: Q82998565
• Mol file: 83803-39-8.mol

Synonyms:83803-39-8;EINECS 280-856-1;2-(3-(Heptylthio)-1H-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethan-1-one;2-[3-(heptylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one;DTXSID901003858;2-[3-(Heptylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethanone;2-[3-(Heptylsulfanyl)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one

Chemical Property of 2-(3-(Heptylthio)-1H-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethan-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 522.147°C at 760 mmHg
• Flash Point: 269.585°C
• PSA: 93.31000
• Density: 1.201g/cm³
• LogP: 3.92910
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 333.15109816
• Heavy Atom Count: 23
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCSC1=NN(C=N1)CC(=O)C2=CC=CC=C2O

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