Benzenamine, 3-(ethylthio)-N-phenyl-
TL;DR: Benzenamine, 3-(ethylthio)-N-phenyl- (CAS 68083-49-8) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-N-phenylaniline
Also Known As: 3-(Ethylthio)diphenylamine, 3-(ethylsulfanyl)-n-phenylaniline, Benzenamine, 3-(ethylthio)-N-phenyl-, 3-ethylsulfanyl-N-phenylaniline, 3-(Ethylthio)-N-phenylbenzenamine
| Molecular Formula | C14H15NS |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09251 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 68083-49-8 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)NC2=CC=CC=C2 |
| InChIKey | YNHGMBTXSRJGLC-UHFFFAOYSA-N |
Product Overview
Benzenamine, 3-(ethylthio)-N-phenyl- (CAS 68083-49-8), with molecular formula C14H15NS and molecular weight 229.09 g/mol. IUPAC: 3-ethylsulfanyl-N-phenylaniline.
Chemical Property Profile of Benzenamine, 3-(ethylthio)-N-phenyl-
Property Insights of Benzenamine, 3-(ethylthio)-N-phenyl-
The XLogP value of 4.3 indicates that Benzenamine, 3-(ethylthio)-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzenamine, 3-(ethylthio)-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3-(ethylthio)-N-phenyl- has 1 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 Benzenamine, 3-(ethylthio)-N-phenyl-?
The CAS number of Benzenamine, 3-(ethylthio)-N-phenyl- is 68083-49-8.
What is the molecular formula of Benzenamine, 3-(ethylthio)-N-phenyl-?
The molecular formula of Benzenamine, 3-(ethylthio)-N-phenyl- is C14H15NS.
What is the molecular weight of Benzenamine, 3-(ethylthio)-N-phenyl-?
The molecular weight of Benzenamine, 3-(ethylthio)-N-phenyl- is 229.09 g/mol.
Where can I buy Benzenamine, 3-(ethylthio)-N-phenyl-?
You can request a quote for Benzenamine, 3-(ethylthio)-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3-(ethylthio)-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-(ethylthio)-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.