2,2'-Dithiobis(benzonitrile)
TL;DR: 2,2'-Dithiobis(benzonitrile) (CAS 33174-74-2) is a chemical compound with molecular formula C14H8N2S2 and molecular weight 268.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyanophenyl)disulfanyl]benzonitrile
Also Known As: 2,2'-Dithiobis(benzonitrile), 2,2'-Dithiobis, 2,2'-Disulfanediyldibenzonitrile, 2,2'-Dithiodibenzonitrile, Ziprasidone impurity 58
| Molecular Formula | C14H8N2S2 |
|---|---|
| Molecular Weight | 268.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.01288 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 33174-74-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)SSC2=CC=CC=C2C#N |
| InChIKey | VPYVSDNWAWBSLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Dithiobis(benzonitrile) (CAS 33174-74-2), with molecular formula C14H8N2S2 and molecular weight 268.01 g/mol. IUPAC: 2-[(2-cyanophenyl)disulfanyl]benzonitrile.
Chemical Property Profile of 2,2'-Dithiobis(benzonitrile)
Property Insights of 2,2'-Dithiobis(benzonitrile)
The XLogP value of 3.8 indicates that 2,2'-Dithiobis(benzonitrile) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Dithiobis(benzonitrile). Following Lipinski's Rule of Five, 2,2'-Dithiobis(benzonitrile) has 0 hydrogen bond donor(s) and 4 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 2,2'-Dithiobis(benzonitrile)?
The CAS number of 2,2'-Dithiobis(benzonitrile) is 33174-74-2.
What is the molecular formula of 2,2'-Dithiobis(benzonitrile)?
The molecular formula of 2,2'-Dithiobis(benzonitrile) is C14H8N2S2.
What is the molecular weight of 2,2'-Dithiobis(benzonitrile)?
The molecular weight of 2,2'-Dithiobis(benzonitrile) is 268.01 g/mol.
Where can I buy 2,2'-Dithiobis(benzonitrile)?
You can request a quote for 2,2'-Dithiobis(benzonitrile) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dithiobis(benzonitrile)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dithiobis(benzonitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.