![1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea structure](/static/products/4262/426252-71-3.webp)
1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
TL;DR: 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426252-71-3) is a chemical compound with molecular formula C16H11Cl2FN4OS2 and molecular weight 427.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea, 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, 1-(5-((2,4-dichlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-[(2Z)-5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea
| Molecular Formula | C16H11Cl2FN4OS2 |
|---|---|
| Molecular Weight | 427.97 g/mol |
| LogP | 5.9203 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.97354 |
| Heavy Atoms | 26 |
| Complexity | 920.86816 |
Chemical Identifiers
| CAS Number | 426252-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl)F |
Product Overview
1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426252-71-3), with molecular formula C16H11Cl2FN4OS2 and molecular weight 427.97 g/mol. IUPAC: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
Property Insights of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
The XLogP value of 5.9203 indicates that 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The CAS number of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 426252-71-3.
What is the molecular formula of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular formula of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is C16H11Cl2FN4OS2.
What is the molecular weight of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular weight of 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 427.97 g/mol.
Where can I buy 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
You can request a quote for 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.