5-Heptyl-1,3,4-oxadiazole-2(3H)-thione

Base Information

• Chemical Name: 5-Heptyl-1,3,4-oxadiazole-2(3H)-thione
• CAS No.: 66473-10-7
• Molecular Formula: C9H16N2OS
• Molecular Weight: 200.30
• European Community (EC) Number: 266-377-0
• DSSTox Substance ID: DTXSID8070463
• Nikkaji Number: J94.825J
• Mol file: 66473-10-7.mol

Synonyms:66473-10-7;5-Heptyl-1,3,4-oxadiazole-2(3H)-thione;5-heptyl-3H-1,3,4-oxadiazole-2-thione;1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-;EINECS 266-377-0;5-Heptyl-2-mercapto-1,3,4-oxadiazole;5-heptyl-2,3-dihydro-1,3,4-oxadiazole-2-thione;2-Heptyl-5-mercapto-1,3,4-oxadiazole;2-(1-Heptyl)-5-mercapto 1,3,4-oxodiazole;SCHEMBL6558491;DTXSID8070463;SCHEMBL21144227;TOD100708;AKOS009280864;AKOS015897387;AC-1821;5-heptyl-1,3,4-oxadiazole-2(3H)thione;FT-0653617;5-HEPTYL-1,3,4-OXADIAZOLE-2-THIOL;A835472;J-650372;W-104748

Chemical Property of 5-Heptyl-1,3,4-oxadiazole-2(3H)-thione

Chemical Property:

• Vapor Pressure: 0.0258mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 247.4 °C at 760 mmHg
• PKA: 4.86±0.70(Predicted)
• Flash Point: 103.4 °C
• PSA: 77.72000
• Density: 1.16 g/cm³
• LogP: 2.87120
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 200.09833431
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-HEPTYL)-5-MERCAPTO 1,3,4-OXODIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=NNC(=S)O1