![2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid structure](/static/products/6505/65051-31-2.webp)
2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid
TL;DR: 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid (CAS 65051-31-2) is a chemical compound with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]acetic acid
Also Known As: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetic acid, 2,4-Dichlorbenzylthio-essigsaeure, 2-[(2,4-dichlorophenyl)methylsulfanyl]acetic acid, (2,4-Dichloro-benzylsulfanyl)-acetic acid, AB01331019-02
| Molecular Formula | C9H8Cl2O2S |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.9622 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 65051-31-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSCC(=O)O |
| InChIKey | GWTAKOPAASARET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid (CAS 65051-31-2), with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid
Property Insights of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid
The XLogP value of 3.5 indicates that 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}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 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}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 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid?
The CAS number of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid is 65051-31-2.
What is the molecular formula of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid?
The molecular formula of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid is C9H8Cl2O2S.
What is the molecular weight of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid?
The molecular weight of 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid is 249.96 g/mol.
Where can I buy 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid?
You can request a quote for 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.