alpha-D-1-Thioglucopyranose
TL;DR: alpha-D-1-Thioglucopyranose (CAS 63073-99-4) 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,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
Also Known As: 1-Thio-alpha-D-glucopyranose, alpha-glucosyl thiol, alpha-D-Glucopyranose, alpha-D-1-Thioglucopyranose, alpha-D-Glucopyranose, 1-thio-
| 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 | 63073-99-4 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O |
| InChIKey | JUSMHIGDXPKSID-VFUOTHLCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-D-1-Thioglucopyranose (CAS 63073-99-4), with molecular formula C6H12O5S and molecular weight 196.04 g/mol. IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol.
Chemical Property Profile of alpha-D-1-Thioglucopyranose
Property Insights of alpha-D-1-Thioglucopyranose
The XLogP value of -1.6 indicates that alpha-D-1-Thioglucopyranose 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 alpha-D-1-Thioglucopyranose. Following Lipinski's Rule of Five, alpha-D-1-Thioglucopyranose 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 alpha-D-1-Thioglucopyranose?
The CAS number of alpha-D-1-Thioglucopyranose is 63073-99-4.
What is the molecular formula of alpha-D-1-Thioglucopyranose?
The molecular formula of alpha-D-1-Thioglucopyranose is C6H12O5S.
What is the molecular weight of alpha-D-1-Thioglucopyranose?
The molecular weight of alpha-D-1-Thioglucopyranose is 196.04 g/mol.
Where can I buy alpha-D-1-Thioglucopyranose?
You can request a quote for alpha-D-1-Thioglucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-D-1-Thioglucopyranose?
Yes, KEHONG BIO provides custom synthesis services for alpha-D-1-Thioglucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.