3-Methylundecane-3-thiol

Base Information

• Chemical Name: 3-Methylundecane-3-thiol
• CAS No.: 80867-35-2
• Molecular Formula: C12H26 S
• Molecular Weight: 202.39984
• European Community (EC) Number: 279-605-9
• DSSTox Substance ID: DTXSID601001603
• Nikkaji Number: J320.335B
• Mol file: 80867-35-2.mol

Synonyms:3-Methylundecane-3-thiol;80867-35-2;EINECS 279-605-9;3-Methyl-3-undecanethiol;SCHEMBL11042117;DTXSID601001603

Chemical Property of 3-Methylundecane-3-thiol

Chemical Property:

• Vapor Pressure: 0.0234mmHg at 25°C
• Boiling Point: 257.4°C at 760 mmHg
• Flash Point: 93.9°C
• PSA: 38.80000
• Density: 0.84g/cm³
• LogP: 4.83550
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 202.17552200
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)(CC)S