3-Methyl-1,2-dithiolane
TL;DR: 3-Methyl-1,2-dithiolane (CAS 55487-20-2) is a chemical compound with molecular formula C4H8S2 and molecular weight 120.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyldithiolane
Also Known As: 3-Methyl-1,2-dithiolane, 3-methyldithiolane, 3-methyl-1,2-dithiacyclopentane, 1,2-Dithiolane, 3-methyl-, RefChem:280570
| Molecular Formula | C4H8S2 |
|---|---|
| Molecular Weight | 120.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.006744 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 55487-20-2 |
|---|---|
| SMILES | CC1CCSS1 |
| InChIKey | YGRXDUYBUNBNHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2-dithiolane (CAS 55487-20-2), with molecular formula C4H8S2 and molecular weight 120.01 g/mol. IUPAC: 3-methyldithiolane.
Chemical Property Profile of 3-Methyl-1,2-dithiolane
Property Insights of 3-Methyl-1,2-dithiolane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-dithiolane. With a topological polar surface area (TPSA) of 50.6 Ų, 3-Methyl-1,2-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2-dithiolane 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 3-Methyl-1,2-dithiolane?
The CAS number of 3-Methyl-1,2-dithiolane is 55487-20-2.
What is the molecular formula of 3-Methyl-1,2-dithiolane?
The molecular formula of 3-Methyl-1,2-dithiolane is C4H8S2.
What is the molecular weight of 3-Methyl-1,2-dithiolane?
The molecular weight of 3-Methyl-1,2-dithiolane is 120.01 g/mol.
Where can I buy 3-Methyl-1,2-dithiolane?
You can request a quote for 3-Methyl-1,2-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.