Methyl 2-isocyano-3-methylsulfanylpropanoate
TL;DR: Methyl 2-isocyano-3-methylsulfanylpropanoate (CAS 33115-77-4) is a chemical compound with molecular formula C6H9NO2S and molecular weight 159.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyano-3-methylsulfanylpropanoate
Also Known As: methyl 2-isocyano-3-methylsulfanylpropanoate, Methyl 2-isocyano-3-methylsulfanyl-propanoate, methyl 2-isocyano-3-(methylsulfanyl)propanoate, METHYL-2-ISOCYANO-3-(METHYLTHIO)-PROPIONATE, 2-ISOCYANO-3-(METHYLTHIO)-PROPIONIC ACID METHYL ESTER
| Molecular Formula | C6H9NO2S |
|---|---|
| Molecular Weight | 159.04 g/mol |
| LogP | 0.81029 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.0354 |
| Heavy Atoms | 10 |
| Complexity | 152.31703 |
Chemical Identifiers
| CAS Number | 33115-77-4 |
|---|---|
| SMILES | COC(=O)C(CSC)[N+]#[C-] |
Product Overview
Methyl 2-isocyano-3-methylsulfanylpropanoate (CAS 33115-77-4), with molecular formula C6H9NO2S and molecular weight 159.04 g/mol. IUPAC: methyl 2-isocyano-3-methylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-isocyano-3-methylsulfanylpropanoate
Property Insights of Methyl 2-isocyano-3-methylsulfanylpropanoate
The XLogP value of 0.81029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyano-3-methylsulfanylpropanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 2-isocyano-3-methylsulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyano-3-methylsulfanylpropanoate 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 Methyl 2-isocyano-3-methylsulfanylpropanoate?
The CAS number of Methyl 2-isocyano-3-methylsulfanylpropanoate is 33115-77-4.
What is the molecular formula of Methyl 2-isocyano-3-methylsulfanylpropanoate?
The molecular formula of Methyl 2-isocyano-3-methylsulfanylpropanoate is C6H9NO2S.
What is the molecular weight of Methyl 2-isocyano-3-methylsulfanylpropanoate?
The molecular weight of Methyl 2-isocyano-3-methylsulfanylpropanoate is 159.04 g/mol.
Where can I buy Methyl 2-isocyano-3-methylsulfanylpropanoate?
You can request a quote for Methyl 2-isocyano-3-methylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isocyano-3-methylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isocyano-3-methylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.