1-thio-beta-D-glucopyranose
TL;DR: 1-thio-beta-D-glucopyranose (CAS 7211-44-1) is a chemical compound with molecular formula C6H12O5S and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
Also Known As: beta-D-Thioglucose, 1-Thio-beta-D-glucose, Thioglucose, beta-D-Glcp-SH, beta-D-Glc-SH
| Molecular Formula | C6H12O5S |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.04054 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 7211-44-1 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O |
| InChIKey | JUSMHIGDXPKSID-DVKNGEFBSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-thio-beta-D-glucopyranose (CAS 7211-44-1), with molecular formula C6H12O5S and molecular weight 196.04 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol.
Chemical Property Profile of 1-thio-beta-D-glucopyranose
Property Insights of 1-thio-beta-D-glucopyranose
The XLogP value of -1.6 indicates that 1-thio-beta-D-glucopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-thio-beta-D-glucopyranose. Following Lipinski's Rule of Five, 1-thio-beta-D-glucopyranose 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-thio-beta-D-glucopyranose?
The CAS number of 1-thio-beta-D-glucopyranose is 7211-44-1.
What is the molecular formula of 1-thio-beta-D-glucopyranose?
The molecular formula of 1-thio-beta-D-glucopyranose is C6H12O5S.
What is the molecular weight of 1-thio-beta-D-glucopyranose?
The molecular weight of 1-thio-beta-D-glucopyranose is 196.04 g/mol.
Where can I buy 1-thio-beta-D-glucopyranose?
You can request a quote for 1-thio-beta-D-glucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-thio-beta-D-glucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1-thio-beta-D-glucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.