Isopropyl Thioglycolate
TL;DR: Isopropyl Thioglycolate (CAS 7383-61-1) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-sulfanylacetate
Also Known As: ISOPROPYL THIOGLYCOLATE, propan-2-yl 2-sulfanylacetate, ISOPROPYLTHIOGLYCOLATE, Isopropyl mercaptoacetate, propan-2-yl sulfanylacetate
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 7383-61-1 |
|---|---|
| SMILES | CC(C)OC(=O)CS |
| InChIKey | KLHDJBCAYIXOTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl Thioglycolate (CAS 7383-61-1), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: propan-2-yl 2-sulfanylacetate.
Chemical Property Profile of Isopropyl Thioglycolate
Property Insights of Isopropyl Thioglycolate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl Thioglycolate. With a topological polar surface area (TPSA) of 27.3 Ų, Isopropyl Thioglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl Thioglycolate?
The CAS number of Isopropyl Thioglycolate is 7383-61-1.
What is the molecular formula of Isopropyl Thioglycolate?
The molecular formula of Isopropyl Thioglycolate is C5H10O2S.
What is the molecular weight of Isopropyl Thioglycolate?
The molecular weight of Isopropyl Thioglycolate is 134.04 g/mol.
Where can I buy Isopropyl Thioglycolate?
You can request a quote for Isopropyl Thioglycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl Thioglycolate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl Thioglycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.