(4-aminophenyl)ethanethioic O-acid
TL;DR: (4-aminophenyl)ethanethioic O-acid (CAS 354531-38-7) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)ethanethioic S-acid
Also Known As: (4-aminophenyl)ethanethioic O-acid, 2-(4-aminophenyl)ethanethioic O-acid, 2-(4-aminophenyl)ethanethioic S-acid, 4-aminophenylthioacetic acid
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.2677 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 255.2995 |
Chemical Identifiers
| CAS Number | 354531-38-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)S)N |
Product Overview
(4-aminophenyl)ethanethioic O-acid (CAS 354531-38-7), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: 2-(4-aminophenyl)ethanethioic S-acid.
Chemical Property Profile of (4-aminophenyl)ethanethioic O-acid
Property Insights of (4-aminophenyl)ethanethioic O-acid
The XLogP value of 1.2677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-aminophenyl)ethanethioic O-acid. With a topological polar surface area (TPSA) of 43.09 Ų, (4-aminophenyl)ethanethioic O-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-aminophenyl)ethanethioic O-acid has 2 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 (4-aminophenyl)ethanethioic O-acid?
The CAS number of (4-aminophenyl)ethanethioic O-acid is 354531-38-7.
What is the molecular formula of (4-aminophenyl)ethanethioic O-acid?
The molecular formula of (4-aminophenyl)ethanethioic O-acid is C8H9NOS.
What is the molecular weight of (4-aminophenyl)ethanethioic O-acid?
The molecular weight of (4-aminophenyl)ethanethioic O-acid is 167.04 g/mol.
Where can I buy (4-aminophenyl)ethanethioic O-acid?
You can request a quote for (4-aminophenyl)ethanethioic O-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-aminophenyl)ethanethioic O-acid?
Yes, KEHONG BIO provides custom synthesis services for (4-aminophenyl)ethanethioic O-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.