2-Ethylthiacyclohexane
TL;DR: 2-Ethylthiacyclohexane (CAS 1613-52-1) 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.
2-ethylthiane
Also Known As: 2-Ethylthiacyclohexane, 2-ethylthiane, ethylthiacyclohexane, 2-Ethyltetrahydro-2H-thiopyran, 2H-thiopyran, 2-ethyltetrahydro-
| 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 | 61.0 |
Chemical Identifiers
| CAS Number | 1613-52-1 |
|---|---|
| SMILES | CCC1CCCCS1 |
| InChIKey | GYIFZSXJAVPBLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylthiacyclohexane (CAS 1613-52-1), with molecular formula C7H14S and molecular weight 130.08 g/mol. IUPAC: 2-ethylthiane.
Chemical Property Profile of 2-Ethylthiacyclohexane
Property Insights of 2-Ethylthiacyclohexane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylthiacyclohexane. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Ethylthiacyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylthiacyclohexane 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 2-Ethylthiacyclohexane?
The CAS number of 2-Ethylthiacyclohexane is 1613-52-1.
What is the molecular formula of 2-Ethylthiacyclohexane?
The molecular formula of 2-Ethylthiacyclohexane is C7H14S.
What is the molecular weight of 2-Ethylthiacyclohexane?
The molecular weight of 2-Ethylthiacyclohexane is 130.08 g/mol.
Where can I buy 2-Ethylthiacyclohexane?
You can request a quote for 2-Ethylthiacyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylthiacyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylthiacyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.