3-Mercaptopinane
TL;DR: 3-Mercaptopinane (CAS 72361-41-2) 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-trimethylbicyclo[3.1.1]heptane-3-thiol
Also Known As: 3-Mercaptopinane, 3-PINANETHIOL, (+-)-3-MERCAPTOPINANE, (+/-)-3-MERCAPTOPINANE, 3-MERCAPTOPINANE, (+-)-
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 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 |
| 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 170.11 g/mol. IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol.
Chemical Property Profile of 3-Mercaptopinane
Property Insights of 3-Mercaptopinane
The XLogP value of 3.5 indicates that 3-Mercaptopinane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Mercaptopinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptopinane 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 3-Mercaptopinane?
The CAS number of 3-Mercaptopinane is 72361-41-2.
What is the molecular formula of 3-Mercaptopinane?
The molecular formula of 3-Mercaptopinane is C10H18S.
What is the molecular weight of 3-Mercaptopinane?
The molecular weight of 3-Mercaptopinane is 170.11 g/mol.
Where can I buy 3-Mercaptopinane?
You can request a quote for 3-Mercaptopinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptopinane?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptopinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.