Methyl isoselenocyanate
TL;DR: Methyl isoselenocyanate (CAS 33350-59-3) is a chemical compound with molecular formula C2H3NSe and molecular weight 120.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylimino(selanylidene)methane
Also Known As: Methyl isoselenocyanate, Methylselenoisocyanat, methylimino(selanylidene)methane, ISOSELENOCYANATOMETHANE, 1-[3-chloro-4-[chloro(difluoro)methyl]sulfanylphenyl]-3-methylurea
| Molecular Formula | C2H3NSe |
|---|---|
| Molecular Weight | 120.94 g/mol |
| LogP | -0.31 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.94307 |
| Heavy Atoms | 4 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 33350-59-3 |
|---|---|
| SMILES | CN=C=[Se] |
| InChIKey | PBYQRKLVFZCKNK-UHFFFAOYSA-N |
Product Overview
Methyl isoselenocyanate (CAS 33350-59-3), with molecular formula C2H3NSe and molecular weight 120.94 g/mol. IUPAC: methylimino(selanylidene)methane.
Chemical Property Profile of Methyl isoselenocyanate
Property Insights of Methyl isoselenocyanate
The XLogP value of -0.31 indicates that Methyl isoselenocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.4 Ų, Methyl isoselenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl isoselenocyanate has 0 hydrogen bond donor(s) and 1 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 isoselenocyanate?
The CAS number of Methyl isoselenocyanate is 33350-59-3.
What is the molecular formula of Methyl isoselenocyanate?
The molecular formula of Methyl isoselenocyanate is C2H3NSe.
What is the molecular weight of Methyl isoselenocyanate?
The molecular weight of Methyl isoselenocyanate is 120.94 g/mol.
Where can I buy Methyl isoselenocyanate?
You can request a quote for Methyl isoselenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isoselenocyanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isoselenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.