![2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 structure](/static/products/5551/55511-33-6.webp)
2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇
TL;DR: 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 (CAS 55511-33-6) is a chemical compound with molecular formula C10H18S and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇
2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol
Also Known As: MERCAPTOPINANE, 2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-1-THIOL, 2,6,6-Trimethylbicyclo(3.1.1)heptane-1-thiol, 4,6,6-trimethylbicyclo[3.1.1]heptane-5-thiol, Bicyclo(3.1.1)heptane-1-thiol, 2,6,6-trimethyl-
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 55511-33-6 |
|---|---|
| SMILES | CC1CCC2CC1(C2(C)C)S |
| InChIKey | YHBWJJQAGNYITO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 (CAS 55511-33-6), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol.
Chemical Property Profile of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇
Property Insights of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇
The XLogP value of 3.4 indicates that 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇?
The CAS number of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 is 55511-33-6.
What is the molecular formula of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇?
The molecular formula of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 is C10H18S.
What is the molecular weight of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇?
The molecular weight of 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 is 170.11 g/mol.
Where can I buy 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇?
You can request a quote for 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2,6,6-三甲基双环[3.1.1]庚烷-1-硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.