(8-Chloro-1-naphthylthio)acetic acid
TL;DR: (8-Chloro-1-naphthylthio)acetic acid (CAS 129-94-2) is a chemical compound with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-chloronaphthalen-1-yl)sulfanylacetic acid
Also Known As: (8-Chloro-1-naphthylthio)acetic acid, Maybridge1_001748, 2-(8-CHLORO-1-NAPHTHYLTHIO)ACETIC ACID, 2-((8-Chloronaphthalen-1-yl)thio)acetic acid, 2-(8-chloronaphthalen-1-yl)sulfanylacetic acid
| Molecular Formula | C12H9ClO2S |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.00117 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 129-94-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)SCC(=O)O)C(=CC=C2)Cl |
| InChIKey | WPNAGQJVWAFQJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(8-Chloro-1-naphthylthio)acetic acid (CAS 129-94-2), with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol. IUPAC: 2-(8-chloronaphthalen-1-yl)sulfanylacetic acid.
Chemical Property Profile of (8-Chloro-1-naphthylthio)acetic acid
Property Insights of (8-Chloro-1-naphthylthio)acetic acid
The XLogP value of 3.9 indicates that (8-Chloro-1-naphthylthio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-Chloro-1-naphthylthio)acetic acid. Following Lipinski's Rule of Five, (8-Chloro-1-naphthylthio)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 (8-Chloro-1-naphthylthio)acetic acid?
The CAS number of (8-Chloro-1-naphthylthio)acetic acid is 129-94-2.
What is the molecular formula of (8-Chloro-1-naphthylthio)acetic acid?
The molecular formula of (8-Chloro-1-naphthylthio)acetic acid is C12H9ClO2S.
What is the molecular weight of (8-Chloro-1-naphthylthio)acetic acid?
The molecular weight of (8-Chloro-1-naphthylthio)acetic acid is 252.00 g/mol.
Where can I buy (8-Chloro-1-naphthylthio)acetic acid?
You can request a quote for (8-Chloro-1-naphthylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-Chloro-1-naphthylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (8-Chloro-1-naphthylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.