1-s-Ethyl-1-thiohexitol
TL;DR: 1-s-Ethyl-1-thiohexitol (CAS 517-56-6) is a chemical compound with molecular formula C8H18O5S and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfanylhexane-1,2,3,4,5-pentol
Also Known As: 1-s-ethyl-1-thiohexitol, 6-ethylsulfanylhexane-1,2,3,4,5-pentol
| Molecular Formula | C8H18O5S |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.0875 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 517-56-6 |
|---|---|
| SMILES | CCSCC(C(C(C(CO)O)O)O)O |
| InChIKey | KNJUGDLMHZKKIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-s-Ethyl-1-thiohexitol (CAS 517-56-6), with molecular formula C8H18O5S and molecular weight 226.09 g/mol. IUPAC: 6-ethylsulfanylhexane-1,2,3,4,5-pentol.
Chemical Property Profile of 1-s-Ethyl-1-thiohexitol
Property Insights of 1-s-Ethyl-1-thiohexitol
The XLogP value of -1.4 indicates that 1-s-Ethyl-1-thiohexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-s-Ethyl-1-thiohexitol. Following Lipinski's Rule of Five, 1-s-Ethyl-1-thiohexitol has 5 hydrogen bond donor(s) and 6 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 1-s-Ethyl-1-thiohexitol?
The CAS number of 1-s-Ethyl-1-thiohexitol is 517-56-6.
What is the molecular formula of 1-s-Ethyl-1-thiohexitol?
The molecular formula of 1-s-Ethyl-1-thiohexitol is C8H18O5S.
What is the molecular weight of 1-s-Ethyl-1-thiohexitol?
The molecular weight of 1-s-Ethyl-1-thiohexitol is 226.09 g/mol.
Where can I buy 1-s-Ethyl-1-thiohexitol?
You can request a quote for 1-s-Ethyl-1-thiohexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-s-Ethyl-1-thiohexitol?
Yes, KEHONG BIO provides custom synthesis services for 1-s-Ethyl-1-thiohexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.