1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-
TL;DR: 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- (CAS 69922-37-8) is a chemical compound with molecular formula C12H14S4 and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-dithiolane
Also Known As: 2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-dithiolane, 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-, 1,4-Bis(1,3-dithiolan-2-yl)benzene, 2,2'-p-phenylene-bis-[1,3]dithiolane, 1,3-Dithiolane,2,2'-(1,4-phenylene)bis
| Molecular Formula | C12H14S4 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.99783 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 69922-37-8 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)C3SCCS3 |
| InChIKey | PGBFPRKWAGYWOP-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- (CAS 69922-37-8), with molecular formula C12H14S4 and molecular weight 286.00 g/mol. IUPAC: 2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-
Property Insights of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-
The XLogP value of 3.9 indicates that 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- has 0 hydrogen bond donor(s) and 4 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, 2,2'-(1,4-phenylene)bis-?
The CAS number of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- is 69922-37-8.
What is the molecular formula of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-?
The molecular formula of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- is C12H14S4.
What is the molecular weight of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-?
The molecular weight of 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- is 286.00 g/mol.
Where can I buy 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis-?
You can request a quote for 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- 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, 2,2'-(1,4-phenylene)bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2,2'-(1,4-phenylene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.