4-甲硫基丁腈
TL;DR: 4-甲硫基丁腈 (CAS 59121-24-3) is a chemical compound with molecular formula C5H9NS and molecular weight 115.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲硫基丁腈
4-methylsulfanylbutanenitrile
Also Known As: 4-(methylthio)butanenitrile, 4-(Methylthio)butylnitrile, Butanenitrile, 4-(methylthio)-, 4-methylsulfanylbutanenitrile, 4-(Methylsulfanyl)butanenitrile
| Molecular Formula | C5H9NS |
|---|---|
| Molecular Weight | 115.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.04557 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 59121-24-3 |
|---|---|
| SMILES | CSCCCC#N |
| InChIKey | JPWPMBYFDCHLKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲硫基丁腈 (CAS 59121-24-3), with molecular formula C5H9NS and molecular weight 115.05 g/mol. IUPAC: 4-methylsulfanylbutanenitrile.
Chemical Property Profile of 4-甲硫基丁腈
Property Insights of 4-甲硫基丁腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲硫基丁腈. With a topological polar surface area (TPSA) of 49.1 Ų, 4-甲硫基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲硫基丁腈 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 4-甲硫基丁腈?
The CAS number of 4-甲硫基丁腈 is 59121-24-3.
What is the molecular formula of 4-甲硫基丁腈?
The molecular formula of 4-甲硫基丁腈 is C5H9NS.
What is the molecular weight of 4-甲硫基丁腈?
The molecular weight of 4-甲硫基丁腈 is 115.05 g/mol.
Where can I buy 4-甲硫基丁腈?
You can request a quote for 4-甲硫基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲硫基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-甲硫基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.