4,5-二氰基-1,3-二硫杂环戊-2-酮
TL;DR: 4,5-二氰基-1,3-二硫杂环戊-2-酮 (CAS 934-31-6) is a chemical compound with molecular formula C5N2OS2 and molecular weight 167.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氰基-1,3-二硫杂环戊-2-酮
2-oxo-1,3-dithiole-4,5-dicarbonitrile
Also Known As: 4,5-Dicyano-1,3-dithiol-2-one, 2-Oxo-1,3-dithiole-4,5-dicarbonitrile, 4,5-Dicyano-1,3-dithiolen-2-one, 4,5-Dicyano-1,3-dithiolene-2-one, 2-oxo-2H-1,3-dithiole-4,5-dicarbonitrile
| Molecular Formula | C5N2OS2 |
|---|---|
| Molecular Weight | 167.95 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.9452 |
| Heavy Atoms | 10 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 934-31-6 |
|---|---|
| SMILES | C(#N)C1=C(SC(=O)S1)C#N |
| InChIKey | BPDMXHRQYNWQSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氰基-1,3-二硫杂环戊-2-酮 (CAS 934-31-6), with molecular formula C5N2OS2 and molecular weight 167.95 g/mol. IUPAC: 2-oxo-1,3-dithiole-4,5-dicarbonitrile.
Chemical Property Profile of 4,5-二氰基-1,3-二硫杂环戊-2-酮
Property Insights of 4,5-二氰基-1,3-二硫杂环戊-2-酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-二氰基-1,3-二硫杂环戊-2-酮. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二氰基-1,3-二硫杂环戊-2-酮. Following Lipinski's Rule of Five, 4,5-二氰基-1,3-二硫杂环戊-2-酮 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 4,5-二氰基-1,3-二硫杂环戊-2-酮?
The CAS number of 4,5-二氰基-1,3-二硫杂环戊-2-酮 is 934-31-6.
What is the molecular formula of 4,5-二氰基-1,3-二硫杂环戊-2-酮?
The molecular formula of 4,5-二氰基-1,3-二硫杂环戊-2-酮 is C5N2OS2.
What is the molecular weight of 4,5-二氰基-1,3-二硫杂环戊-2-酮?
The molecular weight of 4,5-二氰基-1,3-二硫杂环戊-2-酮 is 167.95 g/mol.
Where can I buy 4,5-二氰基-1,3-二硫杂环戊-2-酮?
You can request a quote for 4,5-二氰基-1,3-二硫杂环戊-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氰基-1,3-二硫杂环戊-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氰基-1,3-二硫杂环戊-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.