1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-
TL;DR: 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- (CAS 102107-39-1) is a chemical compound with molecular formula C11H14OS2 and molecular weight 226.04861 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxy-2-methylphenyl)-1,3-dithiolane
Also Known As: 2-(4-Methoxy-o-tolyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(4-METHOXY-o-TOLYL)-, 2-(4-methoxy-2-methylphenyl)-1,3-dithiolane
Technical Specifications
| Molecular Formula | C11H14OS2 |
| Molecular Weight | 226.04861 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.04861 Da |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
| SMILES | CC1=C(C=CC(=C1)OC)C2SCCS2 |
| InChIKey | PWMHSSUZLMTEDV-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-
Property Insights of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-
The XLogP value of 3.3 indicates that 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-?
The CAS number of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- is 102107-39-1.
What is the molecular formula of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-?
The molecular formula of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- is C11H14OS2.
What is the molecular weight of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-?
The molecular weight of 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- is 226.04861 g/mol.
Where can I buy 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-?
You can request a quote for 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.