Ethyl isocyanate
TL;DR: Ethyl isocyanate (CAS 109-90-0) is a chemical compound with molecular formula C3H5NO and molecular weight 71.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanatoethane
Also Known As: ETHYL ISOCYANATE, Isocyanatoethane, Ethane, isocyanato-, ethylisocyanate, Isocyanatoethene
| Molecular Formula | C3H5NO |
|---|---|
| Molecular Weight | 71.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 71.03712 |
| Heavy Atoms | 5 |
| Complexity | 53.0 |
| Boiling Point | 60 °C |
| Density | 0.9031g/cu cm |
| Solubility | Miscible in ethanol, ether |
| Vapor Pressure | 17.5 [mmHg] |
| Refractive Index | 1.3808 at 20 °C |
Chemical Identifiers
| CAS Number | 109-90-0 |
|---|---|
| SMILES | CCN=C=O |
| InChIKey | WUDNUHPRLBTKOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isocyanate (CAS 109-90-0), with molecular formula C3H5NO and molecular weight 71.04 g/mol. IUPAC: isocyanatoethane.
Chemical Property Profile of Ethyl isocyanate
Property Insights of Ethyl isocyanate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Ethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isocyanate has 0 hydrogen bond donor(s) and 2 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 Ethyl isocyanate?
The CAS number of Ethyl isocyanate is 109-90-0.
What is the molecular formula of Ethyl isocyanate?
The molecular formula of Ethyl isocyanate is C3H5NO.
What is the molecular weight of Ethyl isocyanate?
The molecular weight of Ethyl isocyanate is 71.04 g/mol.
Where can I buy Ethyl isocyanate?
You can request a quote for Ethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.