2-Ethylsulfanyl-3-oxobutanenitrile
TL;DR: 2-Ethylsulfanyl-3-oxobutanenitrile (CAS 70360-76-8) is a chemical compound with molecular formula C6H9NOS and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-oxobutanenitrile
Also Known As: 2-ethylsulfanyl-3-oxobutanenitrile, Butanenitrile,2-(ethylthio)-3-oxo-, 2-(Ethylsulfanyl)-3-oxobutanenitrile, BUTANENITRILE, 2-(ETHYLTHIO)-3-OXO-, Butanenitrile, 2-(ethylthio)-3-oxo- (9CI)
| Molecular Formula | C6H9NOS |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.04048 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 70360-76-8 |
|---|---|
| SMILES | CCSC(C#N)C(=O)C |
| InChIKey | SLQOOMAWPBHIQL-UHFFFAOYSA-N |
Product Overview
2-Ethylsulfanyl-3-oxobutanenitrile (CAS 70360-76-8), with molecular formula C6H9NOS and molecular weight 143.04 g/mol. IUPAC: 2-ethylsulfanyl-3-oxobutanenitrile.
Chemical Property Profile of 2-Ethylsulfanyl-3-oxobutanenitrile
Property Insights of 2-Ethylsulfanyl-3-oxobutanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylsulfanyl-3-oxobutanenitrile. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylsulfanyl-3-oxobutanenitrile. Following Lipinski's Rule of Five, 2-Ethylsulfanyl-3-oxobutanenitrile 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 2-Ethylsulfanyl-3-oxobutanenitrile?
The CAS number of 2-Ethylsulfanyl-3-oxobutanenitrile is 70360-76-8.
What is the molecular formula of 2-Ethylsulfanyl-3-oxobutanenitrile?
The molecular formula of 2-Ethylsulfanyl-3-oxobutanenitrile is C6H9NOS.
What is the molecular weight of 2-Ethylsulfanyl-3-oxobutanenitrile?
The molecular weight of 2-Ethylsulfanyl-3-oxobutanenitrile is 143.04 g/mol.
Where can I buy 2-Ethylsulfanyl-3-oxobutanenitrile?
You can request a quote for 2-Ethylsulfanyl-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylsulfanyl-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfanyl-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.