5-Chloro-2-((2-thienylthio)methyl)benzoic acid
TL;DR: 5-Chloro-2-((2-thienylthio)methyl)benzoic acid (CAS 16220-62-5) is a chemical compound with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(thiophen-2-ylsulfanylmethyl)benzoic acid
Also Known As: 5-Chloro-2-[(2-thienylthio)methyl]benzoic acid, 5-Chloro-2-((2-thienylthio)methyl)benzoic acid, 5-chloro-2-(thiophen-2-ylsulfanylmethyl)benzoic Acid, 5-CHLORO-2-(THIOPHEN-2-YLSULFANYLMETHYL)-BENZOIC ACID, 5-Chloro-2-{[(thiophen-2-yl)sulfanyl]methyl}benzoic acid
| Molecular Formula | C12H9ClO2S2 |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 4.392 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.97324 |
| Heavy Atoms | 17 |
| Complexity | 523.3068 |
Chemical Identifiers
| CAS Number | 16220-62-5 |
|---|---|
| SMILES | C1=CSC(=C1)SCC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-Chloro-2-((2-thienylthio)methyl)benzoic acid (CAS 16220-62-5), with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol. IUPAC: 5-chloro-2-(thiophen-2-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid
Property Insights of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid
The XLogP value of 4.392 indicates that 5-Chloro-2-((2-thienylthio)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Chloro-2-((2-thienylthio)methyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-((2-thienylthio)methyl)benzoic 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 5-Chloro-2-((2-thienylthio)methyl)benzoic acid?
The CAS number of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid is 16220-62-5.
What is the molecular formula of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid?
The molecular formula of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid is C12H9ClO2S2.
What is the molecular weight of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid?
The molecular weight of 5-Chloro-2-((2-thienylthio)methyl)benzoic acid is 283.97 g/mol.
Where can I buy 5-Chloro-2-((2-thienylthio)methyl)benzoic acid?
You can request a quote for 5-Chloro-2-((2-thienylthio)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-((2-thienylthio)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-((2-thienylthio)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.