Isooctyl Thioglycolate
TL;DR: Isooctyl Thioglycolate (CAS 25103-09-7) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-sulfanylacetate
Also Known As: ISOOCTYL THIOGLYCOLATE, Isooctyl mercaptoacetate, 6-methylheptyl 2-sulfanylacetate, Isooctyl 2-mercaptoacetate, isooctylthioglycolate
| Molecular Formula | C10H20O2S |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.11841 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
| Boiling Point | 125 °C @ 17 mm Hg |
| Density | 0.9736 @ 25 °C |
| Refractive Index | 1.4606 @ 21 °C |
Chemical Identifiers
| CAS Number | 25103-09-7 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CS |
| InChIKey | RZBBHEJLECUBJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctyl Thioglycolate (CAS 25103-09-7), with molecular formula C10H20O2S and molecular weight 204.12 g/mol. IUPAC: 6-methylheptyl 2-sulfanylacetate.
Chemical Property Profile of Isooctyl Thioglycolate
Property Insights of Isooctyl Thioglycolate
The XLogP value of 3.6 indicates that Isooctyl Thioglycolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Isooctyl Thioglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctyl 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 Isooctyl Thioglycolate?
The CAS number of Isooctyl Thioglycolate is 25103-09-7.
What is the molecular formula of Isooctyl Thioglycolate?
The molecular formula of Isooctyl Thioglycolate is C10H20O2S.
What is the molecular weight of Isooctyl Thioglycolate?
The molecular weight of Isooctyl Thioglycolate is 204.12 g/mol.
Where can I buy Isooctyl Thioglycolate?
You can request a quote for Isooctyl Thioglycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctyl Thioglycolate?
Yes, KEHONG BIO provides custom synthesis services for Isooctyl Thioglycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.