Trifluorothiolacetic acid
TL;DR: Trifluorothiolacetic acid (CAS 2925-25-9) is a chemical compound with molecular formula C2HF3OS and molecular weight 129.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethanethioic S-acid
Also Known As: Trifluorothiolacetic acid, trifluorothioacetic acid, trifluoroethanethioic S-acid, Trifluoroethanethioic acid, (trifluoro)thioacetic S-acid
| Molecular Formula | C2HF3OS |
|---|---|
| Molecular Weight | 129.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.97002 |
| Heavy Atoms | 7 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 2925-25-9 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)S |
| InChIKey | HLDPDUFAJCWOBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trifluorothiolacetic acid (CAS 2925-25-9), with molecular formula C2HF3OS and molecular weight 129.97 g/mol. IUPAC: 2,2,2-trifluoroethanethioic S-acid.
Chemical Property Profile of Trifluorothiolacetic acid
Property Insights of Trifluorothiolacetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluorothiolacetic acid. With a topological polar surface area (TPSA) of 18.1 Ų, Trifluorothiolacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluorothiolacetic acid has 1 hydrogen bond donor(s) and 5 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 Trifluorothiolacetic acid?
The CAS number of Trifluorothiolacetic acid is 2925-25-9.
What is the molecular formula of Trifluorothiolacetic acid?
The molecular formula of Trifluorothiolacetic acid is C2HF3OS.
What is the molecular weight of Trifluorothiolacetic acid?
The molecular weight of Trifluorothiolacetic acid is 129.97 g/mol.
Where can I buy Trifluorothiolacetic acid?
You can request a quote for Trifluorothiolacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluorothiolacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Trifluorothiolacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.