Ethyl 1-thiohexopyranoside
TL;DR: Ethyl 1-thiohexopyranoside (CAS 686299-00-3) is a chemical compound with molecular formula C8H16O5S and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Ethyl 1-thiohexopyranoside, Ethyl -Thioglucopyranoside, Ethyl b-D-thioglucopyranoside, Ethyl beta-D-thioglucoside, Ethyl a-Thioglucopyranoside
| Molecular Formula | C8H16O5S |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07184 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 686299-00-3 |
|---|---|
| SMILES | CCSC1C(C(C(C(O1)CO)O)O)O |
| InChIKey | CHAHFVCHPSPXOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-thiohexopyranoside (CAS 686299-00-3), with molecular formula C8H16O5S and molecular weight 224.07 g/mol. IUPAC: 2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Ethyl 1-thiohexopyranoside
Property Insights of Ethyl 1-thiohexopyranoside
The XLogP value of -0.9 indicates that Ethyl 1-thiohexopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-thiohexopyranoside. Following Lipinski's Rule of Five, Ethyl 1-thiohexopyranoside has 4 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 Ethyl 1-thiohexopyranoside?
The CAS number of Ethyl 1-thiohexopyranoside is 686299-00-3.
What is the molecular formula of Ethyl 1-thiohexopyranoside?
The molecular formula of Ethyl 1-thiohexopyranoside is C8H16O5S.
What is the molecular weight of Ethyl 1-thiohexopyranoside?
The molecular weight of Ethyl 1-thiohexopyranoside is 224.07 g/mol.
Where can I buy Ethyl 1-thiohexopyranoside?
You can request a quote for Ethyl 1-thiohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-thiohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-thiohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.