S-methyl 2,2,2-trifluoroethanethioate
TL;DR: S-methyl 2,2,2-trifluoroethanethioate (CAS 41879-94-1) is a chemical compound with molecular formula C3H3F3OS and molecular weight 143.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 2,2,2-trifluoroethanethioate
Also Known As: S-methyl trifluorothioacetate, S-methyl 2,2,2-trifluoroethanethioate, S-Methyl trifluoroethanethioate, trifluoroethanethioic acid S-methyl ester, S-methyl 2,2,2-trifluoroacetylthioate
| Molecular Formula | C3H3F3OS |
|---|---|
| Molecular Weight | 143.99 g/mol |
| LogP | 1.4383 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.98567 |
| Heavy Atoms | 8 |
| Complexity | 97.19188 |
Chemical Identifiers
| CAS Number | 41879-94-1 |
|---|---|
| SMILES | CSC(=O)C(F)(F)F |
Product Overview
S-methyl 2,2,2-trifluoroethanethioate (CAS 41879-94-1), with molecular formula C3H3F3OS and molecular weight 143.99 g/mol. IUPAC: S-methyl 2,2,2-trifluoroethanethioate.
Chemical Property Profile of S-methyl 2,2,2-trifluoroethanethioate
Property Insights of S-methyl 2,2,2-trifluoroethanethioate
The XLogP value of 1.4383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-methyl 2,2,2-trifluoroethanethioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-methyl 2,2,2-trifluoroethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl 2,2,2-trifluoroethanethioate has 0 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 S-methyl 2,2,2-trifluoroethanethioate?
The CAS number of S-methyl 2,2,2-trifluoroethanethioate is 41879-94-1.
What is the molecular formula of S-methyl 2,2,2-trifluoroethanethioate?
The molecular formula of S-methyl 2,2,2-trifluoroethanethioate is C3H3F3OS.
What is the molecular weight of S-methyl 2,2,2-trifluoroethanethioate?
The molecular weight of S-methyl 2,2,2-trifluoroethanethioate is 143.99 g/mol.
Where can I buy S-methyl 2,2,2-trifluoroethanethioate?
You can request a quote for S-methyl 2,2,2-trifluoroethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl 2,2,2-trifluoroethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl 2,2,2-trifluoroethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.