![2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide structure](/static/products/4991/499101-74-5.webp)
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 499101-74-5) is a chemical compound with molecular formula C18H12Cl2F3N3OS3 and molecular weight 508.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-{5-[(4-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}-N-[2-chloro-5-(t rifluoromethyl)phenyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamide
| Molecular Formula | C18H12Cl2F3N3OS3 |
|---|---|
| Molecular Weight | 508.95 g/mol |
| LogP | 6.8868 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.94717 |
| Heavy Atoms | 30 |
| Complexity | 1029.5063 |
Chemical Identifiers
| CAS Number | 499101-74-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Cl |
Product Overview
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 499101-74-5), with molecular formula C18H12Cl2F3N3OS3 and molecular weight 508.95 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
The XLogP value of 6.8868 indicates that 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]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-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]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-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 499101-74-5.
What is the molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is C18H12Cl2F3N3OS3.
What is the molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 508.95 g/mol.
Where can I buy 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.