Cyclohexaneethanethiol, thiolacetate
TL;DR: Cyclohexaneethanethiol, thiolacetate (CAS 874783-31-0) is a chemical compound with molecular formula C10H18OS and molecular weight 186.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-cyclohexylethyl) ethanethioate
Also Known As: Cyclohexaneethanethiol, thiolacetate, S-(2-Cyclohexylethyl)ethanethioate, S-(2-Cyclohexylethyl) ethanethioate, S-(2-Cyclohexylethyl) ethanethioate #, A1-48047
| Molecular Formula | C10H18OS |
|---|---|
| Molecular Weight | 186.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.10783 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 874783-31-0 |
|---|---|
| SMILES | CC(=O)SCCC1CCCCC1 |
| InChIKey | NDSUDAFGHSWVKG-UHFFFAOYSA-N |
Product Overview
Cyclohexaneethanethiol, thiolacetate (CAS 874783-31-0), with molecular formula C10H18OS and molecular weight 186.11 g/mol. IUPAC: S-(2-cyclohexylethyl) ethanethioate.
Chemical Property Profile of Cyclohexaneethanethiol, thiolacetate
Property Insights of Cyclohexaneethanethiol, thiolacetate
The XLogP value of 3.8 indicates that Cyclohexaneethanethiol, thiolacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Cyclohexaneethanethiol, thiolacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneethanethiol, thiolacetate has 0 hydrogen bond donor(s) and 2 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 Cyclohexaneethanethiol, thiolacetate?
The CAS number of Cyclohexaneethanethiol, thiolacetate is 874783-31-0.
What is the molecular formula of Cyclohexaneethanethiol, thiolacetate?
The molecular formula of Cyclohexaneethanethiol, thiolacetate is C10H18OS.
What is the molecular weight of Cyclohexaneethanethiol, thiolacetate?
The molecular weight of Cyclohexaneethanethiol, thiolacetate is 186.11 g/mol.
Where can I buy Cyclohexaneethanethiol, thiolacetate?
You can request a quote for Cyclohexaneethanethiol, thiolacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneethanethiol, thiolacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneethanethiol, thiolacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.