(4-Aminophenylthio)acetic acid
TL;DR: (4-Aminophenylthio)acetic acid (CAS 104-18-7) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)sulfanylacetic acid
Also Known As: 2-(4-Aminophenylthio)acetic acid, (4-Aminophenylthio)acetic acid, 2-((4-Aminophenyl)thio)acetic acid, p-Aminophenylthioacetic acid, Acetic acid, [(4-aminophenyl)thio]-
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 104-18-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SCC(=O)O |
| InChIKey | CTPIHHXCACYCIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Aminophenylthio)acetic acid (CAS 104-18-7), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 2-(4-aminophenyl)sulfanylacetic acid.
Chemical Property Profile of (4-Aminophenylthio)acetic acid
Property Insights of (4-Aminophenylthio)acetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Aminophenylthio)acetic acid. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Aminophenylthio)acetic acid. Following Lipinski's Rule of Five, (4-Aminophenylthio)acetic acid has 2 hydrogen bond donor(s) and 4 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-Aminophenylthio)acetic acid?
The CAS number of (4-Aminophenylthio)acetic acid is 104-18-7.
What is the molecular formula of (4-Aminophenylthio)acetic acid?
The molecular formula of (4-Aminophenylthio)acetic acid is C8H9NO2S.
What is the molecular weight of (4-Aminophenylthio)acetic acid?
The molecular weight of (4-Aminophenylthio)acetic acid is 183.04 g/mol.
Where can I buy (4-Aminophenylthio)acetic acid?
You can request a quote for (4-Aminophenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Aminophenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Aminophenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.