1-Butanone, 1,3-dicyclopropyl-3-(phenylthio)-

Base Information

• Chemical Name: 1-Butanone, 1,3-dicyclopropyl-3-(phenylthio)-
• CAS No.: 140458-47-5
• Molecular Formula: C16H20OS
• Molecular Weight: 260.4
• DSSTox Substance ID: DTXSID80577048
• Mol file: 140458-47-5.mol

Synonyms:140458-47-5;1-Butanone, 1,3-dicyclopropyl-3-(phenylthio)-;1,3-Dicyclopropyl-3-(phenylsulfanyl)butan-1-one;DTXSID80577048;AKOS002678792

Chemical Property of 1-Butanone, 1,3-dicyclopropyl-3-(phenylthio)-

Chemical Property:

• Boiling Point: 388.7±25.0 °C(Predicted)
• PSA: 42.37000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 4.31660
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 260.12348643
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)C1CC1)(C2CC2)SC3=CC=CC=C3

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