2,6,6-Trimethylbicyclo[3.1.1]heptane-1-thiol

Base Information

• Chemical Name: 2,6,6-Trimethylbicyclo[3.1.1]heptane-1-thiol
• CAS No.: 55511-33-6
• Molecular Formula: C10H18S
• Molecular Weight: 170.3149
• European Community (EC) Number: 259-684-6
• UNII: 5KME5C6TFK
• DSSTox Substance ID: DTXSID40866485
• Nikkaji Number: J267.016J
• Mol file: 55511-33-6.mol

Synonyms:55511-33-6;EINECS 259-684-6;2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-1-THIOL;5KME5C6TFK;2,6,6-Trimethylbicyclo(3.1.1)heptane-1-thiol;Bicyclo(3.1.1)heptane-1-thiol, 2,6,6-trimethyl-;Bicyclo[3.1.1]heptane-1-thiol, 2,6,6-trimethyl-;UNII-5KME5C6TFK;SCHEMBL17476386;DTXSID40866485

Chemical Property of 2,6,6-Trimethylbicyclo[3.1.1]heptane-1-thiol

Chemical Property:

• Vapor Pressure: 0.351mmHg at 25°C
• Boiling Point: 205.9°Cat760mmHg
• PKA: 11.47±0.60(Predicted)
• Flash Point: 68.6°C
• PSA: 38.80000
• Density: 0.98g/cm³
• LogP: 3.13100
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.11292175
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2CC1(C2(C)C)S