![4-[(2-Hydroxyethyl)thio]benzoic acid structure](/static/products/7184/7184-99-8.webp)
4-[(2-Hydroxyethyl)thio]benzoic acid
TL;DR: 4-[(2-Hydroxyethyl)thio]benzoic acid (CAS 7184-99-8) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethylsulfanyl)benzoic acid
Also Known As: 4-[(2-hydroxyethyl)thio]benzoic acid, 4-((2-Hydroxyethyl)thio)benzoic acid, 4-(2-hydroxyethylsulfanyl)benzoic acid, 4-[(2-Hydroxyethyl)sulfanyl]benzoic acid, 4-[2-Hydroxyethyl)thio]benzoic acid
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 7184-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)SCCO |
| InChIKey | NMWAITMVPVIPGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(2-Hydroxyethyl)thio]benzoic acid (CAS 7184-99-8), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 4-(2-hydroxyethylsulfanyl)benzoic acid.
Chemical Property Profile of 4-[(2-Hydroxyethyl)thio]benzoic acid
Property Insights of 4-[(2-Hydroxyethyl)thio]benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Hydroxyethyl)thio]benzoic acid. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Hydroxyethyl)thio]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Hydroxyethyl)thio]benzoic 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-[(2-Hydroxyethyl)thio]benzoic acid?
The CAS number of 4-[(2-Hydroxyethyl)thio]benzoic acid is 7184-99-8.
What is the molecular formula of 4-[(2-Hydroxyethyl)thio]benzoic acid?
The molecular formula of 4-[(2-Hydroxyethyl)thio]benzoic acid is C9H10O3S.
What is the molecular weight of 4-[(2-Hydroxyethyl)thio]benzoic acid?
The molecular weight of 4-[(2-Hydroxyethyl)thio]benzoic acid is 198.04 g/mol.
Where can I buy 4-[(2-Hydroxyethyl)thio]benzoic acid?
You can request a quote for 4-[(2-Hydroxyethyl)thio]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Hydroxyethyl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Hydroxyethyl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.