3-[(2,5-Dimethylfuran-3-yl)sulfanyl]heptan-4-one

Base Information

• Chemical Name: 3-[(2,5-Dimethylfuran-3-yl)sulfanyl]heptan-4-one
• CAS No.: 61295-45-2
• Molecular Formula: C13H20O2S
• DSSTox Substance ID: DTXSID90705890

Synonyms:61295-45-2;3-[(2,5-Dimethylfuran-3-yl)sulfanyl]heptan-4-one;SCHEMBL11819113;DTXSID90705890;BETRQUCTKXLMAK-UHFFFAOYSA-N;(1,3-DIETHYLACETONYL)(2,5-DIMETHYL-3-FURYL)SULFIDE

Chemical Property of 3-[(2,5-Dimethylfuran-3-yl)sulfanyl]heptan-4-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 240.11840105
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C(CC)SC1=C(OC(=C1)C)C

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