2,5-Dibromo-3,6-diphenyl-1,4-dithiine
TL;DR: 2,5-Dibromo-3,6-diphenyl-1,4-dithiine (CAS 70103-60-5) is a chemical compound with molecular formula C16H10Br2S2 and molecular weight 423.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-3,6-diphenyl-1,4-dithiine
Also Known As: 2,5-dibromo-3,6-diphenyl-1,4-dithiine, 1,4-Dithiin,2,5-dibromo-3,6-diphenyl-
| Molecular Formula | C16H10Br2S2 |
|---|---|
| Molecular Weight | 423.86 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.85907 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 70103-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C(S2)Br)C3=CC=CC=C3)Br |
| InChIKey | DHWQDUCQQYSDNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dibromo-3,6-diphenyl-1,4-dithiine (CAS 70103-60-5), with molecular formula C16H10Br2S2 and molecular weight 423.86 g/mol. IUPAC: 2,5-dibromo-3,6-diphenyl-1,4-dithiine.
Chemical Property Profile of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine
Property Insights of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine
The XLogP value of 6.4 indicates that 2,5-Dibromo-3,6-diphenyl-1,4-dithiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2,5-Dibromo-3,6-diphenyl-1,4-dithiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dibromo-3,6-diphenyl-1,4-dithiine 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 2,5-Dibromo-3,6-diphenyl-1,4-dithiine?
The CAS number of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine is 70103-60-5.
What is the molecular formula of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine?
The molecular formula of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine is C16H10Br2S2.
What is the molecular weight of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine?
The molecular weight of 2,5-Dibromo-3,6-diphenyl-1,4-dithiine is 423.86 g/mol.
Where can I buy 2,5-Dibromo-3,6-diphenyl-1,4-dithiine?
You can request a quote for 2,5-Dibromo-3,6-diphenyl-1,4-dithiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dibromo-3,6-diphenyl-1,4-dithiine?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dibromo-3,6-diphenyl-1,4-dithiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.