Isopentyl thioglycolate
TL;DR: Isopentyl thioglycolate (CAS 16849-97-1) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-sulfanylacetate
Also Known As: Isopentyl thioglycolate, Isoamyl thioglycolate, 3-methylbutyl 2-sulfanylacetate, ISO-AMYL THIOGLYCOLATE, isopentyl mercaptoacetate
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 16849-97-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)CS |
| InChIKey | WNMCXBGTMQTKEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl thioglycolate (CAS 16849-97-1), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: 3-methylbutyl 2-sulfanylacetate.
Chemical Property Profile of Isopentyl thioglycolate
Property Insights of Isopentyl thioglycolate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentyl thioglycolate. With a topological polar surface area (TPSA) of 27.3 Ų, Isopentyl thioglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 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 Isopentyl thioglycolate?
The CAS number of Isopentyl thioglycolate is 16849-97-1.
What is the molecular formula of Isopentyl thioglycolate?
The molecular formula of Isopentyl thioglycolate is C7H14O2S.
What is the molecular weight of Isopentyl thioglycolate?
The molecular weight of Isopentyl thioglycolate is 162.07 g/mol.
Where can I buy Isopentyl thioglycolate?
You can request a quote for Isopentyl thioglycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl thioglycolate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl thioglycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.