Butyl Thioglycolate
TL;DR: Butyl Thioglycolate (CAS 10047-28-6) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-sulfanylacetate
Also Known As: Butyl thioglycolate, Butyl mercaptoacetate, butyl 2-sulfanylacetate, Butyl 2-mercaptoacetate, Butyl thioglicolate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 10047-28-6 |
|---|---|
| SMILES | CCCCOC(=O)CS |
| InChIKey | SKGVGRLWZVRZDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl Thioglycolate (CAS 10047-28-6), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: butyl 2-sulfanylacetate.
Chemical Property Profile of Butyl Thioglycolate
Property Insights of Butyl Thioglycolate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl Thioglycolate. With a topological polar surface area (TPSA) of 27.3 Ų, Butyl Thioglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl Thioglycolate has 1 hydrogen bond donor(s) and 3 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 Butyl Thioglycolate?
The CAS number of Butyl Thioglycolate is 10047-28-6.
What is the molecular formula of Butyl Thioglycolate?
The molecular formula of Butyl Thioglycolate is C6H12O2S.
What is the molecular weight of Butyl Thioglycolate?
The molecular weight of Butyl Thioglycolate is 148.06 g/mol.
Where can I buy Butyl Thioglycolate?
You can request a quote for Butyl Thioglycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl Thioglycolate?
Yes, KEHONG BIO provides custom synthesis services for Butyl Thioglycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.