Cyclohexyl mercaptoacetate
TL;DR: Cyclohexyl mercaptoacetate (CAS 16849-98-2) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-sulfanylacetate
Also Known As: cyclohexyl 2-sulfanylacetate, Cyclohexyl mercaptoacetate, Cyclohexyl thioglycolate, Cyclohexyl 2-mercaptoacetate, Cyclohexyl sulfanylacetate
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 16849-98-2 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CS |
| InChIKey | DHQYDHVETSVMKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl mercaptoacetate (CAS 16849-98-2), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: cyclohexyl 2-sulfanylacetate.
Chemical Property Profile of Cyclohexyl mercaptoacetate
Property Insights of Cyclohexyl mercaptoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl mercaptoacetate. With a topological polar surface area (TPSA) of 27.3 Ų, Cyclohexyl mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl mercaptoacetate 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 Cyclohexyl mercaptoacetate?
The CAS number of Cyclohexyl mercaptoacetate is 16849-98-2.
What is the molecular formula of Cyclohexyl mercaptoacetate?
The molecular formula of Cyclohexyl mercaptoacetate is C8H14O2S.
What is the molecular weight of Cyclohexyl mercaptoacetate?
The molecular weight of Cyclohexyl mercaptoacetate is 174.07 g/mol.
Where can I buy Cyclohexyl mercaptoacetate?
You can request a quote for Cyclohexyl mercaptoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl mercaptoacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.