2-Ethyl-3,6-dimethylthian-4-ol
TL;DR: 2-Ethyl-3,6-dimethylthian-4-ol (CAS 462065-52-7) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3,6-dimethylthian-4-ol
Also Known As: 2-ethyl-3,6-dimethylthian-4-ol, 2-ethyl-3,6-dimethyl-thian-4-ol, 2-Ethyltetrahydro-3,6-dimethyl-2H-thiopyran-4-ol, 1,5-anhydro-2,4-dideoxy-1-ethyl-2,5-dimethyl-1-thiopentitol
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 2.2874 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 126.73114 |
Chemical Identifiers
| CAS Number | 462065-52-7 |
|---|---|
| SMILES | CCC1C(C(CC(S1)C)O)C |
Product Overview
2-Ethyl-3,6-dimethylthian-4-ol (CAS 462065-52-7), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: 2-ethyl-3,6-dimethylthian-4-ol.
Chemical Property Profile of 2-Ethyl-3,6-dimethylthian-4-ol
Property Insights of 2-Ethyl-3,6-dimethylthian-4-ol
The XLogP value of 2.2874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3,6-dimethylthian-4-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Ethyl-3,6-dimethylthian-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3,6-dimethylthian-4-ol has 1 hydrogen bond donor(s) and 2 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-Ethyl-3,6-dimethylthian-4-ol?
The CAS number of 2-Ethyl-3,6-dimethylthian-4-ol is 462065-52-7.
What is the molecular formula of 2-Ethyl-3,6-dimethylthian-4-ol?
The molecular formula of 2-Ethyl-3,6-dimethylthian-4-ol is C9H18OS.
What is the molecular weight of 2-Ethyl-3,6-dimethylthian-4-ol?
The molecular weight of 2-Ethyl-3,6-dimethylthian-4-ol is 174.11 g/mol.
Where can I buy 2-Ethyl-3,6-dimethylthian-4-ol?
You can request a quote for 2-Ethyl-3,6-dimethylthian-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3,6-dimethylthian-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3,6-dimethylthian-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.