5-(Methylsulfinyl)pentanenitrile
TL;DR: 5-(Methylsulfinyl)pentanenitrile (CAS 61121-66-2) is a chemical compound with molecular formula C6H11NOS and molecular weight 145.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfinylpentanenitrile
Also Known As: Sulforaphane nitrile, 5-METHANESULFINYLPENTANENITRILE, 5-methylsulfinylpentanenitrile, 5-(Methylsulfinyl)pentanenitrile, starbld0046341
| Molecular Formula | C6H11NOS |
|---|---|
| Molecular Weight | 145.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.05614 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 61121-66-2 |
|---|---|
| SMILES | CS(=O)CCCCC#N |
| InChIKey | FGYQUFZANKOISC-UHFFFAOYSA-N |
Product Overview
5-(Methylsulfinyl)pentanenitrile (CAS 61121-66-2), with molecular formula C6H11NOS and molecular weight 145.06 g/mol. IUPAC: 5-methylsulfinylpentanenitrile.
Chemical Property Profile of 5-(Methylsulfinyl)pentanenitrile
Property Insights of 5-(Methylsulfinyl)pentanenitrile
The XLogP value of -0.3 indicates that 5-(Methylsulfinyl)pentanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylsulfinyl)pentanenitrile. Following Lipinski's Rule of Five, 5-(Methylsulfinyl)pentanenitrile has 0 hydrogen bond donor(s) and 3 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 5-(Methylsulfinyl)pentanenitrile?
The CAS number of 5-(Methylsulfinyl)pentanenitrile is 61121-66-2.
What is the molecular formula of 5-(Methylsulfinyl)pentanenitrile?
The molecular formula of 5-(Methylsulfinyl)pentanenitrile is C6H11NOS.
What is the molecular weight of 5-(Methylsulfinyl)pentanenitrile?
The molecular weight of 5-(Methylsulfinyl)pentanenitrile is 145.06 g/mol.
Where can I buy 5-(Methylsulfinyl)pentanenitrile?
You can request a quote for 5-(Methylsulfinyl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylsulfinyl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylsulfinyl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.