3-Cyclohexylthiane
TL;DR: 3-Cyclohexylthiane (CAS 61639-13-2) is a chemical compound with molecular formula C11H20S and molecular weight 184.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexylthiane
Also Known As: 3-Cyclohexylthiane, 3-cyclohexylthiacyclohexane, 2H-Thiopyran, 3-cyclohexyltetrahydro-, 3-cyclohexyl-tetrahydro-thiopyran, 3-Cyclohexyltetrahydro-2H-thiopyran #
| Molecular Formula | C11H20S |
|---|---|
| Molecular Weight | 184.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.12857 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 61639-13-2 |
|---|---|
| SMILES | C1CCC(CC1)C2CCCSC2 |
| InChIKey | PPUJJIBLCWDZDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexylthiane (CAS 61639-13-2), with molecular formula C11H20S and molecular weight 184.13 g/mol. IUPAC: 3-cyclohexylthiane.
Chemical Property Profile of 3-Cyclohexylthiane
Property Insights of 3-Cyclohexylthiane
The XLogP value of 4.4 indicates that 3-Cyclohexylthiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Cyclohexylthiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylthiane 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 3-Cyclohexylthiane?
The CAS number of 3-Cyclohexylthiane is 61639-13-2.
What is the molecular formula of 3-Cyclohexylthiane?
The molecular formula of 3-Cyclohexylthiane is C11H20S.
What is the molecular weight of 3-Cyclohexylthiane?
The molecular weight of 3-Cyclohexylthiane is 184.13 g/mol.
Where can I buy 3-Cyclohexylthiane?
You can request a quote for 3-Cyclohexylthiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexylthiane?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexylthiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.