3-(Hexylsulfanyl)-1-(thiophen-2-YL)prop-2-YN-1-one

Base Information

• Chemical Name: 3-(Hexylsulfanyl)-1-(thiophen-2-YL)prop-2-YN-1-one
• CAS No.: 61299-68-1
• Molecular Formula: C13H16OS2
• DSSTox Substance ID: DTXSID40488742
• Wikidata: Q82331597

Synonyms:61299-68-1;DTXSID40488742;3-(HEXYLSULFANYL)-1-(THIOPHEN-2-YL)PROP-2-YN-1-ONE

Chemical Property of 3-(Hexylsulfanyl)-1-(thiophen-2-YL)prop-2-YN-1-one

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 252.06425748
• Heavy Atom Count: 16
• Complexity: 274

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSC#CC(=O)C1=CC=CS1

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