3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile
TL;DR: 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile (CAS 71398-36-2) is a chemical compound with molecular formula C7H10N2O4S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethylsulfonylmethylsulfonyl)propanenitrile
Also Known As: 3-(2-cyanoethylsulfonylmethylsulfonyl)propanenitrile, 3,3'-(methanediyldisulfonyl)dipropanenitrile, Pentanenitrile,2-hydroxy-2-methyl-4-oxo, 3,3'-(Methylenedisulfonyl)dipropanenitrile, Propionitrile,3,3'-(methylenedisulfonyl)di- (8CI)
| Molecular Formula | C7H10N2O4S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.0082 |
| Heavy Atoms | 15 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 71398-36-2 |
|---|---|
| SMILES | C(CS(=O)(=O)CS(=O)(=O)CCC#N)C#N |
| InChIKey | HAPWJCFLYWARMK-UHFFFAOYSA-N |
Product Overview
3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile (CAS 71398-36-2), with molecular formula C7H10N2O4S2 and molecular weight 250.01 g/mol. IUPAC: 3-(2-cyanoethylsulfonylmethylsulfonyl)propanenitrile.
Chemical Property Profile of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile
Property Insights of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile
The XLogP value of -1.5 indicates that 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile has 0 hydrogen bond donor(s) and 6 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-Cyanoethylsulfonylmethylsulfonyl)propanenitrile?
The CAS number of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile is 71398-36-2.
What is the molecular formula of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile?
The molecular formula of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile is C7H10N2O4S2.
What is the molecular weight of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile?
The molecular weight of 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile is 250.01 g/mol.
Where can I buy 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile?
You can request a quote for 3-(2-Cyanoethylsulfonylmethylsulfonyl)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-Cyanoethylsulfonylmethylsulfonyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyanoethylsulfonylmethylsulfonyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.