Cyanomethyl ethanethioate
TL;DR: Cyanomethyl ethanethioate (CAS 59463-56-8) is a chemical compound with molecular formula C4H5NOS and molecular weight 115.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(cyanomethyl) ethanethioate
Also Known As: cyanomethyl ethanethioate, S-(cyanomethyl) ethanethioate, CYANOMETHYLETHANETHIOATE, 2-(acetylsulfanyl)acetonitrile, (Acetylthio)acetonitrile
| Molecular Formula | C4H5NOS |
|---|---|
| Molecular Weight | 115.01 g/mol |
| LogP | 0.78968 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.009186 |
| Heavy Atoms | 7 |
| Complexity | 104.74765 |
Chemical Identifiers
| CAS Number | 59463-56-8 |
|---|---|
| SMILES | CC(=O)SCC#N |
Product Overview
Cyanomethyl ethanethioate (CAS 59463-56-8), with molecular formula C4H5NOS and molecular weight 115.01 g/mol. IUPAC: S-(cyanomethyl) ethanethioate.
Chemical Property Profile of Cyanomethyl ethanethioate
Property Insights of Cyanomethyl ethanethioate
The XLogP value of 0.78968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl ethanethioate. With a topological polar surface area (TPSA) of 40.86 Ų, Cyanomethyl ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanomethyl ethanethioate 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 Cyanomethyl ethanethioate?
The CAS number of Cyanomethyl ethanethioate is 59463-56-8.
What is the molecular formula of Cyanomethyl ethanethioate?
The molecular formula of Cyanomethyl ethanethioate is C4H5NOS.
What is the molecular weight of Cyanomethyl ethanethioate?
The molecular weight of Cyanomethyl ethanethioate is 115.01 g/mol.
Where can I buy Cyanomethyl ethanethioate?
You can request a quote for Cyanomethyl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.