![[(3,4-Dichlorobenzyl)thio]acetic acid structure](/static/products/6505/65051-00-5.webp)
[(3,4-Dichlorobenzyl)thio]acetic acid
TL;DR: [(3,4-Dichlorobenzyl)thio]acetic acid (CAS 65051-00-5) 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-[(3,4-dichlorophenyl)methylsulfanyl]acetic acid
Also Known As: [(3,4-dichlorobenzyl)thio]acetic acid|[(3,4-dichlorobenzyl)sulfanyl]acetic acid|2-{[(3,4-dichlorophenyl)methyl]sulfanyl}acetic acid|(3,4-Dichlorobenzyl)thioacetic Acid|2-[(3,4-dichlorophenyl)methylsulfanyl]acetic Acid|(3,4-DICHLOROBENZYL)THIO]ACETIC ACID|2-((3,4-Dichlorobenzyl)thio)aceticacid|NCGC00339460-01|((3,4-dichlorobenzyl)sulfanyl)acetic acid|2-((3,4-Dichlorobenzyl)thio)acetic acid|(3,4-DICHLOROBENZYL)THIO]ACETICACID|[(3,4-DICHLOROBENZYL)THIO]ACETICACID|{[(3,4-dichlorophenyl)methyl]sulfanyl}acetic acid|Acetic acid, [[(3,4-dichlorophenyl)methyl]thio]-|2-[(3,4-dichlorophenyl)methylthio]acetic acid|O-(3,4-Dichlorobenzyl)hydroxylamine hydrochloride|2-([(3,4-DICHLOROPHENYL)METHYL]SULFANYL)ACETIC ACID|MFCD02755446|ALBB-009443|EN300-09081
| Molecular Formula | C9H8Cl2O2S |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.3112 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.9622 |
| Heavy Atoms | 14 |
| Complexity | 341.5839 |
Chemical Identifiers
| CAS Number | 65051-00-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSCC(=O)O)Cl)Cl |
Product Overview
[(3,4-Dichlorobenzyl)thio]acetic acid (CAS 65051-00-5), with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(3,4-Dichlorobenzyl)thio]acetic acid
Property Insights of [(3,4-Dichlorobenzyl)thio]acetic acid
The XLogP value of 3.3112 indicates that [(3,4-Dichlorobenzyl)thio]acetic 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, [(3,4-Dichlorobenzyl)thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3,4-Dichlorobenzyl)thio]acetic acid has 1 hydrogen bond donor(s) and 2 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 [(3,4-Dichlorobenzyl)thio]acetic acid?
The CAS number of [(3,4-Dichlorobenzyl)thio]acetic acid is 65051-00-5.
What is the molecular formula of [(3,4-Dichlorobenzyl)thio]acetic acid?
The molecular formula of [(3,4-Dichlorobenzyl)thio]acetic acid is C9H8Cl2O2S.
What is the molecular weight of [(3,4-Dichlorobenzyl)thio]acetic acid?
The molecular weight of [(3,4-Dichlorobenzyl)thio]acetic acid is 249.96 g/mol.
Where can I buy [(3,4-Dichlorobenzyl)thio]acetic acid?
You can request a quote for [(3,4-Dichlorobenzyl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3,4-Dichlorobenzyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-Dichlorobenzyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.