(((Ethyldithio)(isobutoxy)methylene)amino)benzene
TL;DR: (((Ethyldithio)(isobutoxy)methylene)amino)benzene (CAS 64316-58-1) is a chemical compound with molecular formula C13H19NOS2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 1-(ethyldisulfanyl)-N-phenylmethanimidate
Also Known As: (((Ethyldithio)(isobutoxy)methylene)amino)benzene, Isobutyl N-phenyl-1-(ethyldithio)formimidate, 2-methylpropyl 1-(ethyldisulfanyl)-N-phenylmethanimidate, isobutyl (1Z)-1-(ethyldisulfanyl)-N-phenyl-methanimidate, Carbono(dithioperox)imidic acid, phenyl-, SS-ethyl O-(2-methylpropyl) ester
| Molecular Formula | C13H19NOS2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.09082 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 64316-58-1 |
|---|---|
| SMILES | CCSSC(=NC1=CC=CC=C1)OCC(C)C |
| InChIKey | FNQYBSLWCJBKRN-UHFFFAOYSA-N |
Product Overview
(((Ethyldithio)(isobutoxy)methylene)amino)benzene (CAS 64316-58-1), with molecular formula C13H19NOS2 and molecular weight 269.09 g/mol. IUPAC: 2-methylpropyl 1-(ethyldisulfanyl)-N-phenylmethanimidate.
Chemical Property Profile of (((Ethyldithio)(isobutoxy)methylene)amino)benzene
Property Insights of (((Ethyldithio)(isobutoxy)methylene)amino)benzene
The XLogP value of 4.6 indicates that (((Ethyldithio)(isobutoxy)methylene)amino)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (((Ethyldithio)(isobutoxy)methylene)amino)benzene. Following Lipinski's Rule of Five, (((Ethyldithio)(isobutoxy)methylene)amino)benzene has 0 hydrogen bond donor(s) and 4 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 (((Ethyldithio)(isobutoxy)methylene)amino)benzene?
The CAS number of (((Ethyldithio)(isobutoxy)methylene)amino)benzene is 64316-58-1.
What is the molecular formula of (((Ethyldithio)(isobutoxy)methylene)amino)benzene?
The molecular formula of (((Ethyldithio)(isobutoxy)methylene)amino)benzene is C13H19NOS2.
What is the molecular weight of (((Ethyldithio)(isobutoxy)methylene)amino)benzene?
The molecular weight of (((Ethyldithio)(isobutoxy)methylene)amino)benzene is 269.09 g/mol.
Where can I buy (((Ethyldithio)(isobutoxy)methylene)amino)benzene?
You can request a quote for (((Ethyldithio)(isobutoxy)methylene)amino)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((Ethyldithio)(isobutoxy)methylene)amino)benzene?
Yes, KEHONG BIO provides custom synthesis services for (((Ethyldithio)(isobutoxy)methylene)amino)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.