Unithiol
TL;DR: Unithiol (CAS 85168-98-5) is a chemical compound with molecular formula C3H7NaO3S3 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,3-bis(sulfanyl)propane-1-sulfonate
Also Known As: Unithiol, DMPS, Dimaval, Sodium 2,3-dimercapto-1-propanesulfonate, UNITIOL
| Molecular Formula | C3H7NaO3S3 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | -3.2362 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.9455 |
| Heavy Atoms | 10 |
| Complexity | 165.83174 |
Chemical Identifiers
| CAS Number | 85168-98-5 |
|---|---|
| SMILES | C(C(CS(=O)(=O)[O-])S)S.[Na+] |
Product Overview
Unithiol (CAS 85168-98-5), with molecular formula C3H7NaO3S3 and molecular weight 209.95 g/mol. IUPAC: sodium 2,3-bis(sulfanyl)propane-1-sulfonate.
Chemical Property Profile of Unithiol
Property Insights of Unithiol
The XLogP value of -3.2362 indicates that Unithiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, Unithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Unithiol has 2 hydrogen bond donor(s) and 5 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 Unithiol?
The CAS number of Unithiol is 85168-98-5.
What is the molecular formula of Unithiol?
The molecular formula of Unithiol is C3H7NaO3S3.
What is the molecular weight of Unithiol?
The molecular weight of Unithiol is 209.95 g/mol.
Where can I buy Unithiol?
You can request a quote for Unithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Unithiol?
Yes, KEHONG BIO provides custom synthesis services for Unithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.