3,4-Dicyanothiophene
TL;DR: 3,4-Dicyanothiophene (CAS 18853-40-2) is a chemical compound with molecular formula C6H2N2S and molecular weight 133.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-3,4-dicarbonitrile
Also Known As: 3,4-Dicyanothiophene, thiophene-3,4-dicarbonitrile, 3,4-Thiophenedicarbonitrile, null, 4-ethylbenzylamine
| Molecular Formula | C6H2N2S |
|---|---|
| Molecular Weight | 133.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.99387 |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 18853-40-2 |
|---|---|
| SMILES | C1=C(C(=CS1)C#N)C#N |
| InChIKey | JSLBLMYJYPZTEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dicyanothiophene (CAS 18853-40-2), with molecular formula C6H2N2S and molecular weight 133.99 g/mol. IUPAC: thiophene-3,4-dicarbonitrile.
Chemical Property Profile of 3,4-Dicyanothiophene
Property Insights of 3,4-Dicyanothiophene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dicyanothiophene. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dicyanothiophene. Following Lipinski's Rule of Five, 3,4-Dicyanothiophene has 0 hydrogen bond donor(s) and 3 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 3,4-Dicyanothiophene?
The CAS number of 3,4-Dicyanothiophene is 18853-40-2.
What is the molecular formula of 3,4-Dicyanothiophene?
The molecular formula of 3,4-Dicyanothiophene is C6H2N2S.
What is the molecular weight of 3,4-Dicyanothiophene?
The molecular weight of 3,4-Dicyanothiophene is 133.99 g/mol.
Where can I buy 3,4-Dicyanothiophene?
You can request a quote for 3,4-Dicyanothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dicyanothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dicyanothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.