3-((2-Cyanoethyl)disulfanyl)propanenitrile
TL;DR: 3-((2-Cyanoethyl)disulfanyl)propanenitrile (CAS 42841-31-6) is a chemical compound with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethyldisulfanyl)propanenitrile
Also Known As: Dithiodipropionitrile, 3-[(2-cyanoethyl)disulfanyl]propanenitrile, Propionitrile, dithiodi-, 3,3'-Disulfanediyldipropanenitrile, USAF HA-6
| Molecular Formula | C6H8N2S2 |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.0129 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 42841-31-6 |
|---|---|
| SMILES | C(CSSCCC#N)C#N |
| InChIKey | HHEYGEJOMQFDFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-Cyanoethyl)disulfanyl)propanenitrile (CAS 42841-31-6), with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol. IUPAC: 3-(2-cyanoethyldisulfanyl)propanenitrile.
Chemical Property Profile of 3-((2-Cyanoethyl)disulfanyl)propanenitrile
Property Insights of 3-((2-Cyanoethyl)disulfanyl)propanenitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Cyanoethyl)disulfanyl)propanenitrile. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Cyanoethyl)disulfanyl)propanenitrile. Following Lipinski's Rule of Five, 3-((2-Cyanoethyl)disulfanyl)propanenitrile 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-((2-Cyanoethyl)disulfanyl)propanenitrile?
The CAS number of 3-((2-Cyanoethyl)disulfanyl)propanenitrile is 42841-31-6.
What is the molecular formula of 3-((2-Cyanoethyl)disulfanyl)propanenitrile?
The molecular formula of 3-((2-Cyanoethyl)disulfanyl)propanenitrile is C6H8N2S2.
What is the molecular weight of 3-((2-Cyanoethyl)disulfanyl)propanenitrile?
The molecular weight of 3-((2-Cyanoethyl)disulfanyl)propanenitrile is 172.01 g/mol.
Where can I buy 3-((2-Cyanoethyl)disulfanyl)propanenitrile?
You can request a quote for 3-((2-Cyanoethyl)disulfanyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Cyanoethyl)disulfanyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Cyanoethyl)disulfanyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.