![1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea structure](/static/products/499/499210-86-5.png)
1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea
TL;DR: 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea (CAS 499210-86-5) is a chemical compound with molecular formula C17H15ClN4OS2 and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
Also Known As: 1-(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea, 1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea
| Molecular Formula | C17H15ClN4OS2 |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 5.43622 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.03757 |
| Heavy Atoms | 25 |
| Complexity | 849.84424 |
Chemical Identifiers
| CAS Number | 499210-86-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea (CAS 499210-86-5), with molecular formula C17H15ClN4OS2 and molecular weight 390.04 g/mol. IUPAC: 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea.
Chemical Property Profile of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea
Property Insights of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea
The XLogP value of 5.43622 indicates that 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)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-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)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-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea?
The CAS number of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea is 499210-86-5.
What is the molecular formula of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea?
The molecular formula of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea is C17H15ClN4OS2.
What is the molecular weight of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea?
The molecular weight of 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea is 390.04 g/mol.
Where can I buy 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea?
You can request a quote for 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)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-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.