![[(Pentachlorophenyl)thio]acetic acid structure](/static/products/85-/85-20-1.png)
[(Pentachlorophenyl)thio]acetic acid
TL;DR: [(Pentachlorophenyl)thio]acetic acid (CAS 85-20-1) is a chemical compound with molecular formula C8H3Cl5O2S and molecular weight 337.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetic acid
Also Known As: [(Pentachlorophenyl)thio]acetic acid|(Pentachlorophenylthio)acetic acid|Acetic acid, [(pentachlorophenyl)thio]-|[(Pentachlorophenyl)sulfanyl]acetic acid|S-(pentachlorophenyl)-2-thioacetic acid|J2.067.196C|2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetic acid|2-[(2,3,4,5,6-pentachlorophenyl)sulfanyl]acetic acid
| Molecular Formula | C8H3Cl5O2S |
|---|---|
| Molecular Weight | 337.83 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.82965 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 85-20-1 |
|---|---|
| SMILES | C(C(=O)O)SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | JVQGHFVSGQXEGI-UHFFFAOYSA-N |
Product Overview
[(Pentachlorophenyl)thio]acetic acid (CAS 85-20-1), with molecular formula C8H3Cl5O2S and molecular weight 337.83 g/mol. IUPAC: 2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetic acid.
Chemical Property Profile of [(Pentachlorophenyl)thio]acetic acid
Property Insights of [(Pentachlorophenyl)thio]acetic acid
The XLogP value of 5.2 indicates that [(Pentachlorophenyl)thio]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 [(Pentachlorophenyl)thio]acetic acid. Following Lipinski's Rule of Five, [(Pentachlorophenyl)thio]acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(Pentachlorophenyl)thio]acetic acid?
The CAS number of [(Pentachlorophenyl)thio]acetic acid is 85-20-1.
What is the molecular formula of [(Pentachlorophenyl)thio]acetic acid?
The molecular formula of [(Pentachlorophenyl)thio]acetic acid is C8H3Cl5O2S.
What is the molecular weight of [(Pentachlorophenyl)thio]acetic acid?
The molecular weight of [(Pentachlorophenyl)thio]acetic acid is 337.83 g/mol.
Where can I buy [(Pentachlorophenyl)thio]acetic acid?
You can request a quote for [(Pentachlorophenyl)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 [(Pentachlorophenyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(Pentachlorophenyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.