![1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea structure](/static/products/497/497941-85-2.png)
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
TL;DR: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea (CAS 497941-85-2) is a chemical compound with molecular formula C22H15Cl3N4OS2 and molecular weight 519.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
Also Known As: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea, 1-(5-(2-((4-chlorobenzyl)thio)phenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea, 1-[(2Z)-5-{2-[(4-chlorobenzyl)sulfanyl]phenyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C22H15Cl3N4OS2 |
|---|---|
| Molecular Weight | 519.98 g/mol |
| LogP | 8.1016 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.9753 |
| Heavy Atoms | 32 |
| Complexity | 1248.1719 |
Chemical Identifiers
| CAS Number | 497941-85-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)Cl |
Product Overview
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea (CAS 497941-85-2), with molecular formula C22H15Cl3N4OS2 and molecular weight 519.98 g/mol. IUPAC: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
Property Insights of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
The XLogP value of 8.1016 indicates that 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)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-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)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-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea is 497941-85-2.
What is the molecular formula of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea is C22H15Cl3N4OS2.
What is the molecular weight of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea is 519.98 g/mol.
Where can I buy 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)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-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.