Dicyanothioketene
TL;DR: Dicyanothioketene (CAS 54856-36-9) is a chemical compound with molecular formula C4N2S and molecular weight 107.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(sulfanylidenemethylidene)propanedinitrile
Also Known As: Dicyanothioketene, carbonothioylpropanedinitrile, (NC)2C=C=S, 2-(sulfanylidenemethylidene)propanedinitrile, (Sulfanylidenemethylidene)propanedinitrile
| Molecular Formula | C4N2S |
|---|---|
| Molecular Weight | 107.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.97822 |
| Heavy Atoms | 7 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 54856-36-9 |
|---|---|
| SMILES | C(=C(C#N)C#N)=S |
| InChIKey | WLEZZXJYCOXEEJ-UHFFFAOYSA-N |
Product Overview
Dicyanothioketene (CAS 54856-36-9), with molecular formula C4N2S and molecular weight 107.98 g/mol. IUPAC: 2-(sulfanylidenemethylidene)propanedinitrile.
Chemical Property Profile of Dicyanothioketene
Property Insights of Dicyanothioketene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dicyanothioketene. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicyanothioketene. Following Lipinski's Rule of Five, Dicyanothioketene 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 Dicyanothioketene?
The CAS number of Dicyanothioketene is 54856-36-9.
What is the molecular formula of Dicyanothioketene?
The molecular formula of Dicyanothioketene is C4N2S.
What is the molecular weight of Dicyanothioketene?
The molecular weight of Dicyanothioketene is 107.98 g/mol.
Where can I buy Dicyanothioketene?
You can request a quote for Dicyanothioketene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicyanothioketene?
Yes, KEHONG BIO provides custom synthesis services for Dicyanothioketene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.