3-(乙硫基)苯胺
TL;DR: 3-(乙硫基)苯胺 (CAS 1783-82-0) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(乙硫基)苯胺
3-ethylsulfanylaniline
Also Known As: 3-(Ethylthio)aniline, 3-(ethylsulfanyl)aniline, 3-ethylsulfanylaniline, m-(Ethylthio)aniline, Methylthioaniline
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 1783-82-0 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)N |
| InChIKey | DBQWEIGOXKOQAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(乙硫基)苯胺 (CAS 1783-82-0), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 3-ethylsulfanylaniline.
Chemical Property Profile of 3-(乙硫基)苯胺
Property Insights of 3-(乙硫基)苯胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(乙硫基)苯胺. With a topological polar surface area (TPSA) of 51.3 Ų, 3-(乙硫基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(乙硫基)苯胺 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 3-(乙硫基)苯胺?
The CAS number of 3-(乙硫基)苯胺 is 1783-82-0.
What is the molecular formula of 3-(乙硫基)苯胺?
The molecular formula of 3-(乙硫基)苯胺 is C8H11NS.
What is the molecular weight of 3-(乙硫基)苯胺?
The molecular weight of 3-(乙硫基)苯胺 is 153.06 g/mol.
Where can I buy 3-(乙硫基)苯胺?
You can request a quote for 3-(乙硫基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(乙硫基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-(乙硫基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.