1,4-Dithiin-2,3,5,6-tetracarbonitrile
TL;DR: 1,4-Dithiin-2,3,5,6-tetracarbonitrile (CAS 2448-55-7) is a chemical compound with molecular formula C8N4S2 and molecular weight 215.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiine-2,3,5,6-tetracarbonitrile
Also Known As: 1,4-Dithiin-2,3,5,6-tetracarbonitrile, 1,4-Dithiine-2,3,5,6-tetracarbonitrile, tetracyano-1,4-dithiin, Tetracyan-1.4-dithiin, 1,4-Dithiintetracarbonitrile
| Molecular Formula | C8N4S2 |
|---|---|
| Molecular Weight | 215.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.95644 |
| Heavy Atoms | 14 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 2448-55-7 |
|---|---|
| SMILES | C(#N)C1=C(SC(=C(S1)C#N)C#N)C#N |
| InChIKey | NKIPKZDOGWGPNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiin-2,3,5,6-tetracarbonitrile (CAS 2448-55-7), with molecular formula C8N4S2 and molecular weight 215.96 g/mol. IUPAC: 1,4-dithiine-2,3,5,6-tetracarbonitrile.
Chemical Property Profile of 1,4-Dithiin-2,3,5,6-tetracarbonitrile
Property Insights of 1,4-Dithiin-2,3,5,6-tetracarbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiin-2,3,5,6-tetracarbonitrile. The TPSA of 146.0 Ų indicates high polarity, suggesting 1,4-Dithiin-2,3,5,6-tetracarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Dithiin-2,3,5,6-tetracarbonitrile has 0 hydrogen bond donor(s) and 6 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 1,4-Dithiin-2,3,5,6-tetracarbonitrile?
The CAS number of 1,4-Dithiin-2,3,5,6-tetracarbonitrile is 2448-55-7.
What is the molecular formula of 1,4-Dithiin-2,3,5,6-tetracarbonitrile?
The molecular formula of 1,4-Dithiin-2,3,5,6-tetracarbonitrile is C8N4S2.
What is the molecular weight of 1,4-Dithiin-2,3,5,6-tetracarbonitrile?
The molecular weight of 1,4-Dithiin-2,3,5,6-tetracarbonitrile is 215.96 g/mol.
Where can I buy 1,4-Dithiin-2,3,5,6-tetracarbonitrile?
You can request a quote for 1,4-Dithiin-2,3,5,6-tetracarbonitrile 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-2,3,5,6-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiin-2,3,5,6-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.