3-Mercaptopinane
2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol
Also Known As: 3-Mercaptopinane|3-PINANETHIOL|(+-)-3-MERCAPTOPINANE|(+/-)-3-MERCAPTOPINANE|3-MERCAPTOPINANE, (+-)-|FEMA NO. 3503, 3-MERCAPTO-|2,6,6-Trimethylbicyclo(3.1.1)heptane-3-thiol|2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-3-THIOL|3-MERCAPTOPINANE, (+/-)-|4,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol|Bicyclo(3.1.1)heptane-3-thiol, 2,6,6-trimethyl-|Bicyclo[3.1.1]heptane-3-thiol, 2,6,6-trimethyl-|2,7,7-trimethylbicyclo[3.1.1]heptane-3-thiol|Bicyclo[3.1.1]heptane-3-thiol,2,6,6-trimethyl-|276-598-4
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11292 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.11292 |
| Monoisotopic Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 72361-41-2 |
|---|---|
| SMILES | CC1C2CC(C2(C)C)CC1S |
| InChIKey | BLTKIZZDFQAPPT-UHFFFAOYSA-N |
Product Overview
3-Mercaptopinane (CAS 72361-41-2), with molecular formula C10H18S and molecular weight 170.11292 g/mol. IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol.
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