硫代桉树脑
TL;DR: 硫代桉树脑 (CAS 5718-74-1) 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.
硫代桉树脑
1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane
Also Known As: Thiocineole, 1,3,3-Trimethyl-2-thiabicyclo[2.2.2]octane, 2-Thiabicyclo[2.2.2]octane, 1,3,3-trimethyl-, 1,3,3-Trimethyl-2-thiabicyclo(2.2.2)octane, 2,2,4-trimethyl-3-thiabicyclo[2.2.2]octane
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 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 | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 5718-74-1 |
|---|---|
| SMILES | CC1(C2CCC(S1)(CC2)C)C |
| InChIKey | NUVDNPOZQMQNKE-UHFFFAOYSA-N |
Product Overview
硫代桉树脑 (CAS 5718-74-1), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: 1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane.
Chemical Property Profile of 硫代桉树脑
Property Insights of 硫代桉树脑
The XLogP value of 3.0 indicates that 硫代桉树脑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 硫代桉树脑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代桉树脑 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 硫代桉树脑?
The CAS number of 硫代桉树脑 is 5718-74-1.
What is the molecular formula of 硫代桉树脑?
The molecular formula of 硫代桉树脑 is C10H18S.
What is the molecular weight of 硫代桉树脑?
The molecular weight of 硫代桉树脑 is 170.11 g/mol.
Where can I buy 硫代桉树脑?
You can request a quote for 硫代桉树脑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代桉树脑?
Yes, KEHONG BIO provides custom synthesis services for 硫代桉树脑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.