2,2,6,6-Tetramethylthiabicyclohexane
TL;DR: 2,2,6,6-Tetramethylthiabicyclohexane (CAS 78050-22-3) is a chemical compound with molecular formula C9H18S and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6,6-tetramethylthiane
Also Known As: 2,2,6,6-tetramethylthiane, 2,2,6,6-Tetramethylthiabicyclohexane, 2,2,6,6-tetramethylthiacyclohexane, 2H-Thiopyran, tetrahydro-2,2,6,6-tetramethyl-, 2,2,6,6-Tetramethyltetrahydro-2H-thiopyran #
| Molecular Formula | C9H18S |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.11292 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 78050-22-3 |
|---|---|
| SMILES | CC1(CCCC(S1)(C)C)C |
| InChIKey | LLUMFBAGZHZJQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,6,6-Tetramethylthiabicyclohexane (CAS 78050-22-3), with molecular formula C9H18S and molecular weight 158.11 g/mol. IUPAC: 2,2,6,6-tetramethylthiane.
Chemical Property Profile of 2,2,6,6-Tetramethylthiabicyclohexane
Property Insights of 2,2,6,6-Tetramethylthiabicyclohexane
The XLogP value of 3.0 indicates that 2,2,6,6-Tetramethylthiabicyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,2,6,6-Tetramethylthiabicyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,6,6-Tetramethylthiabicyclohexane has 0 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 2,2,6,6-Tetramethylthiabicyclohexane?
The CAS number of 2,2,6,6-Tetramethylthiabicyclohexane is 78050-22-3.
What is the molecular formula of 2,2,6,6-Tetramethylthiabicyclohexane?
The molecular formula of 2,2,6,6-Tetramethylthiabicyclohexane is C9H18S.
What is the molecular weight of 2,2,6,6-Tetramethylthiabicyclohexane?
The molecular weight of 2,2,6,6-Tetramethylthiabicyclohexane is 158.11 g/mol.
Where can I buy 2,2,6,6-Tetramethylthiabicyclohexane?
You can request a quote for 2,2,6,6-Tetramethylthiabicyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,6,6-Tetramethylthiabicyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,6,6-Tetramethylthiabicyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.