1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-
TL;DR: 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- (CAS 565-31-1) is a chemical compound with molecular formula C10H11FS2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
Also Known As: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane, 2-(p-Fluorophenyl)-2-methyl-1,3-dithiolane, 1,3-DITHIOLANE, 2-(p-FLUOROPHENYL)-2-METHYL-, 4-19-00-00223 (Beilstein Handbook Reference), BRN 0146202
| Molecular Formula | C10H11FS2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.02863 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 565-31-1 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=C(C=C2)F |
| InChIKey | OMBQOFRGXONJGP-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- (CAS 565-31-1), with molecular formula C10H11FS2 and molecular weight 214.03 g/mol. IUPAC: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-
Property Insights of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-
The XLogP value of 3.2 indicates that 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- 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-(p-fluorophenyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- 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
Frequently Asked Questions
What is the CAS number of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-?
The CAS number of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- is 565-31-1.
What is the molecular formula of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-?
The molecular formula of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- is C10H11FS2.
What is the molecular weight of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-?
The molecular weight of 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- is 214.03 g/mol.
Where can I buy 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-?
You can request a quote for 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.