3,6-Diphenyl-1,2-dithiin
TL;DR: 3,6-Diphenyl-1,2-dithiin (CAS 16212-85-4) is a chemical compound with molecular formula C16H12S2 and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diphenyldithiine
Also Known As: 3,6-Diphenyl-1,2-dithiin, 3,6-diphenyldithiine, 3,6-diphenyl-1,2-dithiine, 1,2-Dithiin,3,6-diphenyl-
| Molecular Formula | C16H12S2 |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03806 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 16212-85-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(SS2)C3=CC=CC=C3 |
| InChIKey | TWFJKRAZUIJOSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Diphenyl-1,2-dithiin (CAS 16212-85-4), with molecular formula C16H12S2 and molecular weight 268.04 g/mol. IUPAC: 3,6-diphenyldithiine.
Chemical Property Profile of 3,6-Diphenyl-1,2-dithiin
Property Insights of 3,6-Diphenyl-1,2-dithiin
The XLogP value of 4.7 indicates that 3,6-Diphenyl-1,2-dithiin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3,6-Diphenyl-1,2-dithiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Diphenyl-1,2-dithiin 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
Frequently Asked Questions
What is the CAS number of 3,6-Diphenyl-1,2-dithiin?
The CAS number of 3,6-Diphenyl-1,2-dithiin is 16212-85-4.
What is the molecular formula of 3,6-Diphenyl-1,2-dithiin?
The molecular formula of 3,6-Diphenyl-1,2-dithiin is C16H12S2.
What is the molecular weight of 3,6-Diphenyl-1,2-dithiin?
The molecular weight of 3,6-Diphenyl-1,2-dithiin is 268.04 g/mol.
Where can I buy 3,6-Diphenyl-1,2-dithiin?
You can request a quote for 3,6-Diphenyl-1,2-dithiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diphenyl-1,2-dithiin?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diphenyl-1,2-dithiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.