2,3,4,5-Thiophenetetracarbonitrile
TL;DR: 2,3,4,5-Thiophenetetracarbonitrile (CAS 4506-96-1) is a chemical compound with molecular formula C8N4S and molecular weight 183.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-2,3,4,5-tetracarbonitrile
Also Known As: Tetracyanothiophene, Tetracyanothiophen, Thiophenetetracarbonitrile, 2,3,4,5-Thiophenetetracarbonitrile, thiophene-2,3,4,5-tetracarbonitrile
| Molecular Formula | C8N4S |
|---|---|
| Molecular Weight | 183.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98436 |
| Heavy Atoms | 13 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 4506-96-1 |
|---|---|
| SMILES | C(#N)C1=C(SC(=C1C#N)C#N)C#N |
| InChIKey | OLFGLXNMFYJMRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Thiophenetetracarbonitrile (CAS 4506-96-1), with molecular formula C8N4S and molecular weight 183.98 g/mol. IUPAC: thiophene-2,3,4,5-tetracarbonitrile.
Chemical Property Profile of 2,3,4,5-Thiophenetetracarbonitrile
Property Insights of 2,3,4,5-Thiophenetetracarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Thiophenetetracarbonitrile. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5-Thiophenetetracarbonitrile. Following Lipinski's Rule of Five, 2,3,4,5-Thiophenetetracarbonitrile has 0 hydrogen bond donor(s) and 5 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 2,3,4,5-Thiophenetetracarbonitrile?
The CAS number of 2,3,4,5-Thiophenetetracarbonitrile is 4506-96-1.
What is the molecular formula of 2,3,4,5-Thiophenetetracarbonitrile?
The molecular formula of 2,3,4,5-Thiophenetetracarbonitrile is C8N4S.
What is the molecular weight of 2,3,4,5-Thiophenetetracarbonitrile?
The molecular weight of 2,3,4,5-Thiophenetetracarbonitrile is 183.98 g/mol.
Where can I buy 2,3,4,5-Thiophenetetracarbonitrile?
You can request a quote for 2,3,4,5-Thiophenetetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Thiophenetetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Thiophenetetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.