S-phenyl 4-trifluoromethylbenzothioate
TL;DR: S-phenyl 4-trifluoromethylbenzothioate (CAS 144406-22-4) is a chemical compound with molecular formula C14H9F3OS and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 4-(trifluoromethyl)benzenecarbothioate
Also Known As: Maybridge4_004540, S-phenyl 4-trifluoromethylbenzothioate, S-Phenyl 4-(trifluoromethyl)benzothioate, J2.551.414I, S-phenyl 4-(trifluoromethyl)benzenecarbothioate
| Molecular Formula | C14H9F3OS |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 4.6379 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03262 |
| Heavy Atoms | 19 |
| Complexity | 561.495 |
Chemical Identifiers
| CAS Number | 144406-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
S-phenyl 4-trifluoromethylbenzothioate (CAS 144406-22-4), with molecular formula C14H9F3OS and molecular weight 282.03 g/mol. IUPAC: S-phenyl 4-(trifluoromethyl)benzenecarbothioate.
Chemical Property Profile of S-phenyl 4-trifluoromethylbenzothioate
Property Insights of S-phenyl 4-trifluoromethylbenzothioate
The XLogP value of 4.6379 indicates that S-phenyl 4-trifluoromethylbenzothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-phenyl 4-trifluoromethylbenzothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 4-trifluoromethylbenzothioate 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-phenyl 4-trifluoromethylbenzothioate?
The CAS number of S-phenyl 4-trifluoromethylbenzothioate is 144406-22-4.
What is the molecular formula of S-phenyl 4-trifluoromethylbenzothioate?
The molecular formula of S-phenyl 4-trifluoromethylbenzothioate is C14H9F3OS.
What is the molecular weight of S-phenyl 4-trifluoromethylbenzothioate?
The molecular weight of S-phenyl 4-trifluoromethylbenzothioate is 282.03 g/mol.
Where can I buy S-phenyl 4-trifluoromethylbenzothioate?
You can request a quote for S-phenyl 4-trifluoromethylbenzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 4-trifluoromethylbenzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 4-trifluoromethylbenzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.