![2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide structure](/static/products/6132/613227-64-8.webp)
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 613227-64-8) is a chemical compound with molecular formula C18H13ClF3N3OS3 and molecular weight 474.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)-N-(2-CL-5-(TRI-F-ME)PH)ACETAMIDE, 2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(phenylmethylthio)(1,3,4-thiadiazo l-2-ylthio)]acetamide
| Molecular Formula | C18H13ClF3N3OS3 |
|---|---|
| Molecular Weight | 474.99 g/mol |
| LogP | 6.2334 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.98615 |
| Heavy Atoms | 29 |
| Complexity | 983.22784 |
Chemical Identifiers
| CAS Number | 613227-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 613227-64-8), with molecular formula C18H13ClF3N3OS3 and molecular weight 474.99 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
The XLogP value of 6.2334 indicates that 2-{[5-(benzylsulfanyl)-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-(benzylsulfanyl)-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-(benzylsulfanyl)-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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 613227-64-8.
What is the molecular formula of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is C18H13ClF3N3OS3.
What is the molecular weight of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 474.99 g/mol.
Where can I buy 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[5-(benzylsulfanyl)-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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(benzylsulfanyl)-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.