S-(2-cyclohex-3-en-1-ylethyl) ethanethioate
TL;DR: S-(2-cyclohex-3-en-1-ylethyl) ethanethioate (CAS 71865-37-7) is a chemical compound with molecular formula C10H16OS and molecular weight 184.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-cyclohex-3-en-1-ylethyl) ethanethioate
Also Known As: S-(2-cyclohex-3-en-1-ylethyl) ethanethioate, s-[2-(cyclohex-3-en-1-yl)ethyl] ethanethioate, S-[2-(1-cyclohex-3-enyl)ethyl] ethanethioate
| Molecular Formula | C10H16OS |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0922 |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 71865-37-7 |
|---|---|
| SMILES | CC(=O)SCCC1CCC=CC1 |
| InChIKey | NFHNDBWOXMTKLD-UHFFFAOYSA-N |
Product Overview
S-(2-cyclohex-3-en-1-ylethyl) ethanethioate (CAS 71865-37-7), with molecular formula C10H16OS and molecular weight 184.09 g/mol. IUPAC: S-(2-cyclohex-3-en-1-ylethyl) ethanethioate.
Chemical Property Profile of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate
Property Insights of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate
The XLogP value of 3.0 indicates that S-(2-cyclohex-3-en-1-ylethyl) ethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-(2-cyclohex-3-en-1-ylethyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-cyclohex-3-en-1-ylethyl) ethanethioate 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 S-(2-cyclohex-3-en-1-ylethyl) ethanethioate?
The CAS number of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate is 71865-37-7.
What is the molecular formula of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate?
The molecular formula of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate is C10H16OS.
What is the molecular weight of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate?
The molecular weight of S-(2-cyclohex-3-en-1-ylethyl) ethanethioate is 184.09 g/mol.
Where can I buy S-(2-cyclohex-3-en-1-ylethyl) ethanethioate?
You can request a quote for S-(2-cyclohex-3-en-1-ylethyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-cyclohex-3-en-1-ylethyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-cyclohex-3-en-1-ylethyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.