5-(Methylsulfanyl)pentanenitrile
TL;DR: 5-(Methylsulfanyl)pentanenitrile (CAS 59121-25-4) is a chemical compound with molecular formula C6H11NS and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanylpentanenitrile
Also Known As: 5-(Methylsulfanyl)pentanenitrile, 5-(Methylthio)pentanenitrile, 5-methylsulfanylpentanenitrile, 5-methylthiopentanenitrile, 4-Methylthiobutylcyanid
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 59121-25-4 |
|---|---|
| SMILES | CSCCCCC#N |
| InChIKey | XPUDGEZWSNPCMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Methylsulfanyl)pentanenitrile (CAS 59121-25-4), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: 5-methylsulfanylpentanenitrile.
Chemical Property Profile of 5-(Methylsulfanyl)pentanenitrile
Property Insights of 5-(Methylsulfanyl)pentanenitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylsulfanyl)pentanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 5-(Methylsulfanyl)pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylsulfanyl)pentanenitrile has 0 hydrogen bond donor(s) and 2 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-(Methylsulfanyl)pentanenitrile?
The CAS number of 5-(Methylsulfanyl)pentanenitrile is 59121-25-4.
What is the molecular formula of 5-(Methylsulfanyl)pentanenitrile?
The molecular formula of 5-(Methylsulfanyl)pentanenitrile is C6H11NS.
What is the molecular weight of 5-(Methylsulfanyl)pentanenitrile?
The molecular weight of 5-(Methylsulfanyl)pentanenitrile is 129.06 g/mol.
Where can I buy 5-(Methylsulfanyl)pentanenitrile?
You can request a quote for 5-(Methylsulfanyl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylsulfanyl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylsulfanyl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.