4-Ethylthiane
TL;DR: 4-Ethylthiane (CAS 40324-31-0) is a chemical compound with molecular formula C7H14S and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylthiane
Also Known As: 4-Ethylthiane, 4-Ethylthiacyclohexane, 4-Ethyl-thiacyclohexane, 4-Ethyltetrahydro-2H-thiopyran
| Molecular Formula | C7H14S |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.08162 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 40324-31-0 |
|---|---|
| SMILES | CCC1CCSCC1 |
| InChIKey | DZXVHXPCUHPSMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylthiane (CAS 40324-31-0), with molecular formula C7H14S and molecular weight 130.08 g/mol. IUPAC: 4-ethylthiane.
Chemical Property Profile of 4-Ethylthiane
Property Insights of 4-Ethylthiane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylthiane. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Ethylthiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylthiane has 0 hydrogen bond donor(s) and 1 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 4-Ethylthiane?
The CAS number of 4-Ethylthiane is 40324-31-0.
What is the molecular formula of 4-Ethylthiane?
The molecular formula of 4-Ethylthiane is C7H14S.
What is the molecular weight of 4-Ethylthiane?
The molecular weight of 4-Ethylthiane is 130.08 g/mol.
Where can I buy 4-Ethylthiane?
You can request a quote for 4-Ethylthiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylthiane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylthiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.