9-(Methylthio)nonanenitrile
TL;DR: 9-(Methylthio)nonanenitrile (CAS 58214-94-1) is a chemical compound with molecular formula C10H19NS and molecular weight 185.12383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methylsulfanylnonanenitrile
Also Known As: 9-Methylthiononanenitrile, 9-(Methylthio)nonanenitrile, 9-Methylsulfanylnonanenitrile, 9-Methylthiononanonitrile, 9-Methylthiononanonitril
Technical Specifications
| Molecular Formula | C10H19NS |
| Molecular Weight | 185.12383 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 185.12383 Da |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| SMILES | CSCCCCCCCCC#N |
| InChIKey | KQKRRHTVZQEXBX-UHFFFAOYSA-N |
Chemical Property Profile of 9-(Methylthio)nonanenitrile
Property Insights of 9-(Methylthio)nonanenitrile
The XLogP value of 3.3 indicates that 9-(Methylthio)nonanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 9-(Methylthio)nonanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(Methylthio)nonanenitrile 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
What is the CAS number of 9-(Methylthio)nonanenitrile?
The CAS number of 9-(Methylthio)nonanenitrile is 58214-94-1.
What is the molecular formula of 9-(Methylthio)nonanenitrile?
The molecular formula of 9-(Methylthio)nonanenitrile is C10H19NS.
What is the molecular weight of 9-(Methylthio)nonanenitrile?
The molecular weight of 9-(Methylthio)nonanenitrile is 185.12383 g/mol.
Where can I buy 9-(Methylthio)nonanenitrile?
You can request a quote for 9-(Methylthio)nonanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(Methylthio)nonanenitrile?
Yes, CoreyChem provides custom synthesis services for 9-(Methylthio)nonanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.