1,4-Dithiin, 2,5-bis(4-chlorophenyl)-
TL;DR: 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- (CAS 2244-77-1) is a chemical compound with molecular formula C16H10Cl2S2 and molecular weight 335.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(4-chlorophenyl)-1,4-dithiine
Also Known As: 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-, 2,5-Bis(4-chlorophenyl)-1,4-dithiine, 2,5-Di -1,4-dithiin, p-Dithiin, 2,5-bis(p-chlorophenyl)-, 2,5-Di(4-chlorophenyl)-1,4-dithiin
| Molecular Formula | C16H10Cl2S2 |
|---|---|
| Molecular Weight | 335.96 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.96008 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 2244-77-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=CS2)C3=CC=C(C=C3)Cl)Cl |
| InChIKey | YEISRKIONCELHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiin, 2,5-bis(4-chlorophenyl)- (CAS 2244-77-1), with molecular formula C16H10Cl2S2 and molecular weight 335.96 g/mol. IUPAC: 2,5-bis(4-chlorophenyl)-1,4-dithiine.
Chemical Property Profile of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-
Property Insights of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-
The XLogP value of 5.8 indicates that 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-?
The CAS number of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- is 2244-77-1.
What is the molecular formula of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-?
The molecular formula of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- is C16H10Cl2S2.
What is the molecular weight of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-?
The molecular weight of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- is 335.96 g/mol.
Where can I buy 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-?
You can request a quote for 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.