![[1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile structure](/static/products/465/4656-27-3.png)
[1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile
TL;DR: [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile (CAS 4656-27-3) is a chemical compound with molecular formula C8N4S3 and molecular weight 247.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,4]dithiino[2,3-c][1,2]thiazole-3,5,6-tricarbonitrile
Also Known As: tricyano-1,4-dithiino[c]-isothiazole, [1,4]dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile, J3.591.270C, [1,4]dithiino[2,3-c][1,2]thiazole-3,5,6-tricarbonitrile, [1,4]dithiino-[2,3-c]isothiazole3,5,6-tricarbonitrile
| Molecular Formula | C8N4S3 |
|---|---|
| Molecular Weight | 247.93 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.92851 |
| Heavy Atoms | 15 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 4656-27-3 |
|---|---|
| SMILES | C(#N)C1=C(SC2=NSC(=C2S1)C#N)C#N |
| InChIKey | YNPPDMUXGUYRSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile (CAS 4656-27-3), with molecular formula C8N4S3 and molecular weight 247.93 g/mol. IUPAC: [1,4]dithiino[2,3-c][1,2]thiazole-3,5,6-tricarbonitrile.
Chemical Property Profile of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile
Property Insights of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile. The TPSA of 163.0 Ų indicates high polarity, suggesting [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile has 0 hydrogen bond donor(s) and 7 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]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile?
The CAS number of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile is 4656-27-3.
What is the molecular formula of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile?
The molecular formula of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile is C8N4S3.
What is the molecular weight of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile?
The molecular weight of [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile is 247.93 g/mol.
Where can I buy [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile?
You can request a quote for [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1,4]Dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.