2,5-Diamino-3,4-dicyanothiophene
TL;DR: 2,5-Diamino-3,4-dicyanothiophene (CAS 17989-89-8) is a chemical compound with molecular formula C6H4N4S and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diaminothiophene-3,4-dicarbonitrile
Also Known As: 2,5-diaminothiophene-3,4-dicarbonitrile, 2,5-Diamino-3,4-dicyanothiophene, 2,5-Diamino-3,4-thiophenedicarbonitrile, 2,4-dicyanothiophene, 3,4-Thiophenedicarbonitrile, 2,5-diamino-
| Molecular Formula | C6H4N4S |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01567 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 17989-89-8 |
|---|---|
| SMILES | C(#N)C1=C(SC(=C1C#N)N)N |
| InChIKey | TXCXJWUMYTXWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Diamino-3,4-dicyanothiophene (CAS 17989-89-8), with molecular formula C6H4N4S and molecular weight 164.02 g/mol. IUPAC: 2,5-diaminothiophene-3,4-dicarbonitrile.
Chemical Property Profile of 2,5-Diamino-3,4-dicyanothiophene
Property Insights of 2,5-Diamino-3,4-dicyanothiophene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diamino-3,4-dicyanothiophene. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diamino-3,4-dicyanothiophene. Following Lipinski's Rule of Five, 2,5-Diamino-3,4-dicyanothiophene has 2 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 2,5-Diamino-3,4-dicyanothiophene?
The CAS number of 2,5-Diamino-3,4-dicyanothiophene is 17989-89-8.
What is the molecular formula of 2,5-Diamino-3,4-dicyanothiophene?
The molecular formula of 2,5-Diamino-3,4-dicyanothiophene is C6H4N4S.
What is the molecular weight of 2,5-Diamino-3,4-dicyanothiophene?
The molecular weight of 2,5-Diamino-3,4-dicyanothiophene is 164.02 g/mol.
Where can I buy 2,5-Diamino-3,4-dicyanothiophene?
You can request a quote for 2,5-Diamino-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 2,5-Diamino-3,4-dicyanothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diamino-3,4-dicyanothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.