4-Methylthiane
TL;DR: 4-Methylthiane (CAS 5161-17-1) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylthiane
Also Known As: 4-Methylthiane, 4-Methylthiacyclohexane, 2H-Thiopyran, tetrahydro-4-methyl-, 4-Methyltetrahydro-2H-thiopyran, Thiopyran, tetrahydro-4-methyl-
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 5161-17-1 |
|---|---|
| SMILES | CC1CCSCC1 |
| InChIKey | MCSVISNPQJAWJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylthiane (CAS 5161-17-1), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 4-methylthiane.
Chemical Property Profile of 4-Methylthiane
Property Insights of 4-Methylthiane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylthiane. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Methylthiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylthiane 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-Methylthiane?
The CAS number of 4-Methylthiane is 5161-17-1.
What is the molecular formula of 4-Methylthiane?
The molecular formula of 4-Methylthiane is C6H12S.
What is the molecular weight of 4-Methylthiane?
The molecular weight of 4-Methylthiane is 116.07 g/mol.
Where can I buy 4-Methylthiane?
You can request a quote for 4-Methylthiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylthiane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylthiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.