(Phenylthio)acetic acid
TL;DR: (Phenylthio)acetic acid (CAS 103-04-8) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylacetic acid
Also Known As: (Phenylthio)acetic acid, 2-(Phenylthio)acetic acid, Thiophenoxyacetic acid, 2-phenylsulfanylacetic acid, Phenylthioglycolic acid
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| Vapor Pressure | 0.000278 [mmHg] |
Chemical Identifiers
| CAS Number | 103-04-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=O)O |
| InChIKey | MOTOSAGBNXXRRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Phenylthio)acetic acid (CAS 103-04-8), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 2-phenylsulfanylacetic acid.
Chemical Property Profile of (Phenylthio)acetic acid
Property Insights of (Phenylthio)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Phenylthio)acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Phenylthio)acetic acid. Following Lipinski's Rule of Five, (Phenylthio)acetic acid has 1 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 (Phenylthio)acetic acid?
The CAS number of (Phenylthio)acetic acid is 103-04-8.
What is the molecular formula of (Phenylthio)acetic acid?
The molecular formula of (Phenylthio)acetic acid is C8H8O2S.
What is the molecular weight of (Phenylthio)acetic acid?
The molecular weight of (Phenylthio)acetic acid is 168.02 g/mol.
Where can I buy (Phenylthio)acetic acid?
You can request a quote for (Phenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Phenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Phenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.