2-羟基-4-(甲硫基)丁腈
TL;DR: 2-羟基-4-(甲硫基)丁腈 (CAS 17773-41-0) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-4-(甲硫基)丁腈
2-hydroxy-4-methylsulfanylbutanenitrile
Also Known As: MHA Nitrile, 2-Hydroxy-4-(methylthio)butanenitrile, 2-Hydroxy-4-(methylthio)butyronitrile, Butanenitrile, 2-hydroxy-4-(methylthio)-, Hydantoin Impurity 6
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 17773-41-0 |
|---|---|
| SMILES | CSCCC(C#N)O |
| InChIKey | VWWOJJANXYSACS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-4-(甲硫基)丁腈 (CAS 17773-41-0), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: 2-hydroxy-4-methylsulfanylbutanenitrile.
Chemical Property Profile of 2-羟基-4-(甲硫基)丁腈
Property Insights of 2-羟基-4-(甲硫基)丁腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-4-(甲硫基)丁腈. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基-4-(甲硫基)丁腈. Following Lipinski's Rule of Five, 2-羟基-4-(甲硫基)丁腈 has 1 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 2-羟基-4-(甲硫基)丁腈?
The CAS number of 2-羟基-4-(甲硫基)丁腈 is 17773-41-0.
What is the molecular formula of 2-羟基-4-(甲硫基)丁腈?
The molecular formula of 2-羟基-4-(甲硫基)丁腈 is C5H9NOS.
What is the molecular weight of 2-羟基-4-(甲硫基)丁腈?
The molecular weight of 2-羟基-4-(甲硫基)丁腈 is 131.04 g/mol.
Where can I buy 2-羟基-4-(甲硫基)丁腈?
You can request a quote for 2-羟基-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 2-羟基-4-(甲硫基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-4-(甲硫基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.