![[(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid structure](/static/products/885/885461-01-8.png)
[(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid
TL;DR: [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid (CAS 885461-01-8) is a chemical compound with molecular formula C4H4ClF3O2S and molecular weight 207.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-chloro-2,2,2-trifluoroethyl)sulfanylacetic acid
Also Known As: [(1-chloro-2,2,2-trifluoroethyl)thio]acetic acid|2-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]acetic acid|2-(1-chloro-2,2,2-trifluoroethyl)sulfanylacetic acid|[(1-chloro-2,2,2-trifluoroethyl)thio]aceticacid|2-(1-chloro-2,2,2-trifluoro-ethyl)sulfanylacetic Acid|2-((1-Chloro-2,2,2-trifluoroethyl)thio)acetic acid|C4H4ClF3O2S|EN300-11966
| Molecular Formula | C4H4ClF3O2S |
|---|---|
| Molecular Weight | 207.96 g/mol |
| LogP | 1.9314 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.95726 |
| Heavy Atoms | 11 |
| Complexity | 148.76282 |
Chemical Identifiers
| CAS Number | 885461-01-8 |
|---|---|
| SMILES | C(C(=O)O)SC(C(F)(F)F)Cl |
Product Overview
[(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid (CAS 885461-01-8), with molecular formula C4H4ClF3O2S and molecular weight 207.96 g/mol. IUPAC: 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylacetic acid.
Chemical Property Profile of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid
Property Insights of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid
The XLogP value of 1.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1-Chloro-2,2,2-trifluoroethyl)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 [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid?
The CAS number of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid is 885461-01-8.
What is the molecular formula of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid?
The molecular formula of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid is C4H4ClF3O2S.
What is the molecular weight of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid?
The molecular weight of [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid is 207.96 g/mol.
Where can I buy [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid?
You can request a quote for [(1-Chloro-2,2,2-trifluoroethyl)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 [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-Chloro-2,2,2-trifluoroethyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.