(((Isopropyldithio)(methoxy)methylene)amino)benzene
TL;DR: (((Isopropyldithio)(methoxy)methylene)amino)benzene (CAS 64316-49-0) is a chemical compound with molecular formula C11H15NOS2 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-phenyl-1-(propan-2-yldisulfanyl)methanimidate
Also Known As: (((Isopropyldithio)(methoxy)methylene)amino)benzene, methyl N-phenyl-1-(propan-2-yldisulfanyl)methanimidate, Methyl N-phenyl-1-(2-propyldithio)formimidate, methyl (1E)-1-(isopropyldisulfanyl)-N-phenyl-methanimidate, Carbono(dithioperox)imidic acid, phenyl-, O-methyl SS-(1-methylethyl) ester
| Molecular Formula | C11H15NOS2 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05951 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 64316-49-0 |
|---|---|
| SMILES | CC(C)SSC(=NC1=CC=CC=C1)OC |
| InChIKey | VXBZGOXXNIJLSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(((Isopropyldithio)(methoxy)methylene)amino)benzene (CAS 64316-49-0), with molecular formula C11H15NOS2 and molecular weight 241.06 g/mol. IUPAC: methyl N-phenyl-1-(propan-2-yldisulfanyl)methanimidate.
Chemical Property Profile of (((Isopropyldithio)(methoxy)methylene)amino)benzene
Property Insights of (((Isopropyldithio)(methoxy)methylene)amino)benzene
The XLogP value of 3.7 indicates that (((Isopropyldithio)(methoxy)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 (((Isopropyldithio)(methoxy)methylene)amino)benzene. Following Lipinski's Rule of Five, (((Isopropyldithio)(methoxy)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 (((Isopropyldithio)(methoxy)methylene)amino)benzene?
The CAS number of (((Isopropyldithio)(methoxy)methylene)amino)benzene is 64316-49-0.
What is the molecular formula of (((Isopropyldithio)(methoxy)methylene)amino)benzene?
The molecular formula of (((Isopropyldithio)(methoxy)methylene)amino)benzene is C11H15NOS2.
What is the molecular weight of (((Isopropyldithio)(methoxy)methylene)amino)benzene?
The molecular weight of (((Isopropyldithio)(methoxy)methylene)amino)benzene is 241.06 g/mol.
Where can I buy (((Isopropyldithio)(methoxy)methylene)amino)benzene?
You can request a quote for (((Isopropyldithio)(methoxy)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 (((Isopropyldithio)(methoxy)methylene)amino)benzene?
Yes, KEHONG BIO provides custom synthesis services for (((Isopropyldithio)(methoxy)methylene)amino)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.