(E)-N-(4-(methylthio)benzylidene)aniline oxide
TL;DR: (E)-N-(4-(methylthio)benzylidene)aniline oxide (CAS 59699-27-3) is a chemical compound with molecular formula C14H13NOS and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfanylphenyl)-N-phenylmethanimine oxide
Also Known As: (E)-N-(4-(methylthio)benzylidene)aniline oxide, (NE)-N-{[4-(METHYLSULFANYL)PHENYL]METHYLIDENE}-N-OXIDOANILINIUM, 1-(4-methylsulfanylphenyl)-N-phenylmethanimine oxide, AB00673164-01, AB00673164-03
| Molecular Formula | C14H13NOS |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 3.6694 |
| Topological Polar Surface Area | 26.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.0718 |
| Heavy Atoms | 17 |
| Complexity | 505.50525 |
Chemical Identifiers
| CAS Number | 59699-27-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=[N+](\C2=CC=CC=C2)/[O-] |
Product Overview
(E)-N-(4-(methylthio)benzylidene)aniline oxide (CAS 59699-27-3), with molecular formula C14H13NOS and molecular weight 243.07 g/mol. IUPAC: 1-(4-methylsulfanylphenyl)-N-phenylmethanimine oxide.
Chemical Property Profile of (E)-N-(4-(methylthio)benzylidene)aniline oxide
Property Insights of (E)-N-(4-(methylthio)benzylidene)aniline oxide
The XLogP value of 3.6694 indicates that (E)-N-(4-(methylthio)benzylidene)aniline oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.07 Ų, (E)-N-(4-(methylthio)benzylidene)aniline oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(4-(methylthio)benzylidene)aniline oxide 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 (E)-N-(4-(methylthio)benzylidene)aniline oxide?
The CAS number of (E)-N-(4-(methylthio)benzylidene)aniline oxide is 59699-27-3.
What is the molecular formula of (E)-N-(4-(methylthio)benzylidene)aniline oxide?
The molecular formula of (E)-N-(4-(methylthio)benzylidene)aniline oxide is C14H13NOS.
What is the molecular weight of (E)-N-(4-(methylthio)benzylidene)aniline oxide?
The molecular weight of (E)-N-(4-(methylthio)benzylidene)aniline oxide is 243.07 g/mol.
Where can I buy (E)-N-(4-(methylthio)benzylidene)aniline oxide?
You can request a quote for (E)-N-(4-(methylthio)benzylidene)aniline oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-(methylthio)benzylidene)aniline oxide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-(methylthio)benzylidene)aniline oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.