Methyl 2-(methylsulfanyl)heptanoate

Base Information

• Chemical Name: Methyl 2-(methylsulfanyl)heptanoate
• CAS No.: 61836-06-4
• Molecular Formula: C9H18O2S
• Molecular Weight: 190.30300
• DSSTox Substance ID: DTXSID40501248
• Mol file: 61836-06-4.mol

Synonyms:61836-06-4;METHYL 2-(METHYLSULFANYL)HEPTANOATE;DTXSID40501248

Chemical Property of Methyl 2-(methylsulfanyl)heptanoate

Chemical Property:

• Boiling Point: 238.3±23.0 °C(Predicted)
• PSA: 51.60000
• Density: 0.976±0.06 g/cm3(Predicted)
• LogP: 2.47130
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 190.10275099
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C(=O)OC)SC