Undecanoic acid, 11-(methylthio)-, methyl ester

Base Information

• Chemical Name: Undecanoic acid, 11-(methylthio)-, methyl ester
• CAS No.: 100528-78-7
• Molecular Formula: C13H26O2S
• Molecular Weight: 246.40900
• DSSTox Substance ID: DTXSID50579832
• Wikidata: Q82470464
• Mol file: 100528-78-7.mol

Synonyms:100528-78-7;methyl 11-methylsulfanylundecanoate;Undecanoic acid, 11-(methylthio)-, methyl ester;methyl 12-thiatridecanoate;SCHEMBL16281094;DTXSID50579832;METHYL 11-(METHYLSULFANYL)UNDECANOATE

Chemical Property of Undecanoic acid, 11-(methylthio)-, methyl ester

Chemical Property:

• Boiling Point: 315.5±15.0 °C(Predicted)
• PSA: 51.60000
• Density: 0.945±0.06 g/cm3(Predicted)
• LogP: 4.03330
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 246.16535124
• Heavy Atom Count: 16
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCCCCCCSC

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