3,5-Bis(trifluoromethylthio)benzamide
TL;DR: 3,5-Bis(trifluoromethylthio)benzamide (CAS 102117-42-0) is a chemical compound with molecular formula C9H5F6NOS2 and molecular weight 320.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethylsulfanyl)benzamide
Also Known As: 3,5-bis(trifluoromethylthio)benzamide, IDI1_008175, 3,5-bis[(trifluoromethyl)thio]benzamide, 3,5-bis(trifluoromethylsulfanyl)benzamide, 3,5-Bis-trifluoromethylsulfanyl-benzamide
| Molecular Formula | C9H5F6NOS2 |
|---|---|
| Molecular Weight | 320.97 g/mol |
| LogP | 4.0093 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.97168 |
| Heavy Atoms | 19 |
| Complexity | 450.32867 |
Chemical Identifiers
| CAS Number | 102117-42-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1SC(F)(F)F)SC(F)(F)F)C(=O)N |
Product Overview
3,5-Bis(trifluoromethylthio)benzamide (CAS 102117-42-0), with molecular formula C9H5F6NOS2 and molecular weight 320.97 g/mol. IUPAC: 3,5-bis(trifluoromethylsulfanyl)benzamide.
Chemical Property Profile of 3,5-Bis(trifluoromethylthio)benzamide
Property Insights of 3,5-Bis(trifluoromethylthio)benzamide
The XLogP value of 4.0093 indicates that 3,5-Bis(trifluoromethylthio)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 3,5-Bis(trifluoromethylthio)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethylthio)benzamide has 1 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 3,5-Bis(trifluoromethylthio)benzamide?
The CAS number of 3,5-Bis(trifluoromethylthio)benzamide is 102117-42-0.
What is the molecular formula of 3,5-Bis(trifluoromethylthio)benzamide?
The molecular formula of 3,5-Bis(trifluoromethylthio)benzamide is C9H5F6NOS2.
What is the molecular weight of 3,5-Bis(trifluoromethylthio)benzamide?
The molecular weight of 3,5-Bis(trifluoromethylthio)benzamide is 320.97 g/mol.
Where can I buy 3,5-Bis(trifluoromethylthio)benzamide?
You can request a quote for 3,5-Bis(trifluoromethylthio)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethylthio)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.