3,3'-Sulfonyldipropionitrile
TL;DR: 3,3'-Sulfonyldipropionitrile (CAS 3234-31-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethylsulfonyl)propanenitrile
Also Known As: 3,3'-Sulfonyldipropionitrile, 3,3'-Sulfonylbis[propanenitrile], 3,3'-Sulfonyldipropanenitrile, 3-(2-cyanoethylsulfonyl)propanenitrile, 3,3'-Sulfonyldipropiononitrile
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 3234-31-9 |
|---|---|
| SMILES | C(CS(=O)(=O)CCC#N)C#N |
| InChIKey | PPHKBPXYLUBVBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Sulfonyldipropionitrile (CAS 3234-31-9), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: 3-(2-cyanoethylsulfonyl)propanenitrile.
Chemical Property Profile of 3,3'-Sulfonyldipropionitrile
Property Insights of 3,3'-Sulfonyldipropionitrile
The XLogP value of -1.0 indicates that 3,3'-Sulfonyldipropionitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Sulfonyldipropionitrile. Following Lipinski's Rule of Five, 3,3'-Sulfonyldipropionitrile 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 3,3'-Sulfonyldipropionitrile?
The CAS number of 3,3'-Sulfonyldipropionitrile is 3234-31-9.
What is the molecular formula of 3,3'-Sulfonyldipropionitrile?
The molecular formula of 3,3'-Sulfonyldipropionitrile is C6H8N2O2S.
What is the molecular weight of 3,3'-Sulfonyldipropionitrile?
The molecular weight of 3,3'-Sulfonyldipropionitrile is 172.03 g/mol.
Where can I buy 3,3'-Sulfonyldipropionitrile?
You can request a quote for 3,3'-Sulfonyldipropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Sulfonyldipropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Sulfonyldipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.