5-Thioglucal
TL;DR: 5-Thioglucal (CAS 85446-67-9) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
Also Known As: 5-Thioglucal, 5-Thio-D-glucal, 1,5-Anhydro-2-deoxy-1-thiohex-1-enitol, 1,5-Anhydro-2-deoxy-5-thio-D-arabino-hex-1-enitol, 2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
| Molecular Formula | C6H10O3S |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.03506 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 85446-67-9 |
|---|---|
| SMILES | C1=CSC(C(C1O)O)CO |
| InChIKey | AKBLXNBZRIPJFB-UHFFFAOYSA-N |
Product Overview
5-Thioglucal (CAS 85446-67-9), with molecular formula C6H10O3S and molecular weight 162.04 g/mol. IUPAC: 2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol.
Chemical Property Profile of 5-Thioglucal
Property Insights of 5-Thioglucal
The XLogP value of -0.5 indicates that 5-Thioglucal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thioglucal. Following Lipinski's Rule of Five, 5-Thioglucal has 3 hydrogen bond donor(s) and 4 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 5-Thioglucal?
The CAS number of 5-Thioglucal is 85446-67-9.
What is the molecular formula of 5-Thioglucal?
The molecular formula of 5-Thioglucal is C6H10O3S.
What is the molecular weight of 5-Thioglucal?
The molecular weight of 5-Thioglucal is 162.04 g/mol.
Where can I buy 5-Thioglucal?
You can request a quote for 5-Thioglucal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thioglucal?
Yes, KEHONG BIO provides custom synthesis services for 5-Thioglucal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.