2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 476464-41-2) is a chemical compound with molecular formula C19H16F3N3OS3 and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, F0529-0537, 2-(benzylsulfanyl)-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-benzylsulfanyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C19H16F3N3OS3 |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 5.7211 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.04077 |
| Heavy Atoms | 29 |
| Complexity | 931.12244 |
Chemical Identifiers
| CAS Number | 476464-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(F)(F)F |
Product Overview
2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 476464-41-2), with molecular formula C19H16F3N3OS3 and molecular weight 455.04 g/mol. IUPAC: 2-benzylsulfanyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 5.7211 indicates that 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 476464-41-2.
What is the molecular formula of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is C19H16F3N3OS3.
What is the molecular weight of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 455.04 g/mol.
Where can I buy 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.