Ethanethiol, 2-(p-fluoroanilino)-
TL;DR: Ethanethiol, 2-(p-fluoroanilino)- (CAS 20295-60-7) is a chemical compound with molecular formula C8H10FNS and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluoroanilino)ethanethiol
Also Known As: Ethanethiol, 2-(p-fluoroanilino)-, 2-(4-fluoroanilino)ethanethiol, 2-[(4-fluorophenyl)amino]ethane-1-thiol, Ethanethiol, 2-[(4-fluorophenyl)amino]-, 2-[(4-fluorophenyl)amino]ethanethiol
| Molecular Formula | C8H10FNS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.0518 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 20295-60-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCS)F |
| InChIKey | XDVPEFZFQHGYDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethiol, 2-(p-fluoroanilino)- (CAS 20295-60-7), with molecular formula C8H10FNS and molecular weight 171.05 g/mol. IUPAC: 2-(4-fluoroanilino)ethanethiol.
Chemical Property Profile of Ethanethiol, 2-(p-fluoroanilino)-
Property Insights of Ethanethiol, 2-(p-fluoroanilino)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(p-fluoroanilino)-. With a topological polar surface area (TPSA) of 13.0 Ų, Ethanethiol, 2-(p-fluoroanilino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-(p-fluoroanilino)- has 2 hydrogen bond donor(s) and 3 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 Ethanethiol, 2-(p-fluoroanilino)-?
The CAS number of Ethanethiol, 2-(p-fluoroanilino)- is 20295-60-7.
What is the molecular formula of Ethanethiol, 2-(p-fluoroanilino)-?
The molecular formula of Ethanethiol, 2-(p-fluoroanilino)- is C8H10FNS.
What is the molecular weight of Ethanethiol, 2-(p-fluoroanilino)-?
The molecular weight of Ethanethiol, 2-(p-fluoroanilino)- is 171.05 g/mol.
Where can I buy Ethanethiol, 2-(p-fluoroanilino)-?
You can request a quote for Ethanethiol, 2-(p-fluoroanilino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(p-fluoroanilino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(p-fluoroanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.