Vinyl isocyanate
TL;DR: Vinyl isocyanate (CAS 3555-94-0) is a chemical compound with molecular formula C3H3NO and molecular weight 69.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanatoethene
Also Known As: Isocyanatoethene, Vinyl isocyanate, Ethenyl isocyanate, Ethene, isocyanato-, Vinyl isocyanate, 95%
| Molecular Formula | C3H3NO |
|---|---|
| Molecular Weight | 69.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 69.02146 |
| Heavy Atoms | 5 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 3555-94-0 |
|---|---|
| SMILES | C=CN=C=O |
| InChIKey | WARQUFORVQESFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl isocyanate (CAS 3555-94-0), with molecular formula C3H3NO and molecular weight 69.02 g/mol. IUPAC: isocyanatoethene.
Chemical Property Profile of Vinyl isocyanate
Property Insights of Vinyl isocyanate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Vinyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 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 Vinyl isocyanate?
The CAS number of Vinyl isocyanate is 3555-94-0.
What is the molecular formula of Vinyl isocyanate?
The molecular formula of Vinyl isocyanate is C3H3NO.
What is the molecular weight of Vinyl isocyanate?
The molecular weight of Vinyl isocyanate is 69.02 g/mol.
Where can I buy Vinyl isocyanate?
You can request a quote for Vinyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.