![4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione structure](/static/products/3389/338953-73-4.webp)
4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione
TL;DR: 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione (CAS 338953-73-4) is a chemical compound with molecular formula C12H10F3NO2S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]methyl]thiomorpholine-3,5-dione
Also Known As: Bionet2_000083, 4-[3-(trifluoromethyl)benzyl]-3,5-thiomorpholinedione, 5H-322S, 4-[[3-(trifluoromethyl)phenyl]methyl]thiomorpholine-3,5-dione, 4-{[3-(trifluoromethyl)phenyl]methyl}thiomorpholine-3,5-dione
| Molecular Formula | C12H10F3NO2S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 2.3074 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.03842 |
| Heavy Atoms | 19 |
| Complexity | 499.9411 |
Chemical Identifiers
| CAS Number | 338953-73-4 |
|---|---|
| SMILES | C1C(=O)N(C(=O)CS1)CC2=CC(=CC=C2)C(F)(F)F |
Product Overview
4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione (CAS 338953-73-4), with molecular formula C12H10F3NO2S and molecular weight 289.04 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]methyl]thiomorpholine-3,5-dione.
Chemical Property Profile of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione
Property Insights of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione
The XLogP value of 2.3074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione. With a topological polar surface area (TPSA) of 37.38 Ų, 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione has 0 hydrogen bond donor(s) and 3 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 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione?
The CAS number of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione is 338953-73-4.
What is the molecular formula of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione?
The molecular formula of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione is C12H10F3NO2S.
What is the molecular weight of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione?
The molecular weight of 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione is 289.04 g/mol.
Where can I buy 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione?
You can request a quote for 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Trifluoromethyl)benzyl]-3,5-thiomorpholinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.