1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
TL;DR: 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- (CAS 100059-87-8) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-2-phenyl-1,3-dithiolane
Also Known As: 2,4-Dimethyl-2-phenyl-1,3-dithiolane, 1,3-DITHIOLANE, 2,4-DIMETHYL-2-PHENYL-, 2,4-dimethyl-2-phenyl-[1,3]dithiolane, 4-19-00-00236 (Beilstein Handbook Reference), BRN 0083188
Technical Specifications
| Molecular Formula | C11H14S2 |
| Molecular Weight | 210.0537 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.0537 Da |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
| SMILES | CC1CSC(S1)(C)C2=CC=CC=C2 |
| InChIKey | ZPDBKZPLBNMXGB-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
Property Insights of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
The XLogP value of 3.5 indicates that 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- 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 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-?
The CAS number of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- is 100059-87-8.
What is the molecular formula of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-?
The molecular formula of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- is C11H14S2.
What is the molecular weight of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-?
The molecular weight of 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- is 210.0537 g/mol.
Where can I buy 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-?
You can request a quote for 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolane, 2,4-dimethyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.