4-(甲基亚磺酰基)丁腈
TL;DR: 4-(甲基亚磺酰基)丁腈 (CAS 61121-65-1) 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.
4-(甲基亚磺酰基)丁腈
4-methylsulfinylbutanenitrile
Also Known As: 4-(Methylsulfinyl)butanenitrile, 4-methanesulfinylbutanenitrile, 4-methylsulfinylbutanenitrile, Iberin nitrile, 1-Cyano-3-methylsulfinylpropane
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 61121-65-1 |
|---|---|
| SMILES | CS(=O)CCCC#N |
| InChIKey | XCDBAGVWCGHEFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(甲基亚磺酰基)丁腈 (CAS 61121-65-1), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: 4-methylsulfinylbutanenitrile.
Chemical Property Profile of 4-(甲基亚磺酰基)丁腈
Property Insights of 4-(甲基亚磺酰基)丁腈
The XLogP value of -0.6 indicates that 4-(甲基亚磺酰基)丁腈 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 4-(甲基亚磺酰基)丁腈. Following Lipinski's Rule of Five, 4-(甲基亚磺酰基)丁腈 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 4-(甲基亚磺酰基)丁腈?
The CAS number of 4-(甲基亚磺酰基)丁腈 is 61121-65-1.
What is the molecular formula of 4-(甲基亚磺酰基)丁腈?
The molecular formula of 4-(甲基亚磺酰基)丁腈 is C5H9NOS.
What is the molecular weight of 4-(甲基亚磺酰基)丁腈?
The molecular weight of 4-(甲基亚磺酰基)丁腈 is 131.04 g/mol.
Where can I buy 4-(甲基亚磺酰基)丁腈?
You can request a quote for 4-(甲基亚磺酰基)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-(甲基亚磺酰基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(甲基亚磺酰基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.