2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane
TL;DR: 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane (CAS 107389-59-3) is a chemical compound with molecular formula C12H14S2 and molecular weight 222.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(2-phenylethenyl)-1,3-dithiolane
Also Known As: 2-methyl-2-(2-phenylvinyl)-1,3-dithiolane, 1,3-Dithiolane,2-methyl-2-[(1E)-2-phenylethenyl]-
Technical Specifications
| Molecular Formula | C12H14S2 |
| Molecular Weight | 222.0537 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0537 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | CC1(SCCS1)C=CC2=CC=CC=C2 |
| InChIKey | QISXAAMXSFLABQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane
Property Insights of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane
The XLogP value of 3.8 indicates that 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(2-phenylethenyl)-1,3-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
What is the CAS number of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane?
The CAS number of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane is 107389-59-3.
What is the molecular formula of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane?
The molecular formula of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane is C12H14S2.
What is the molecular weight of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane?
The molecular weight of 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane is 222.0537 g/mol.
Where can I buy 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane?
You can request a quote for 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.