![1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea structure](/static/products/488/488132-75-8.png)
1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea
TL;DR: 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea (CAS 488132-75-8) is a chemical compound with molecular formula C19H19ClN4OS2 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
Also Known As: 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea, 1-(5-(((2-chlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea, 1-[5-[(2-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
| Molecular Formula | C19H19ClN4OS2 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 5.88574 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.06888 |
| Heavy Atoms | 27 |
| Complexity | 944.964 |
Chemical Identifiers
| CAS Number | 488132-75-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3Cl)C |
Product Overview
1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea (CAS 488132-75-8), with molecular formula C19H19ClN4OS2 and molecular weight 418.07 g/mol. IUPAC: 1-[5-[(2-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea.
Chemical Property Profile of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea
Property Insights of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea
The XLogP value of 5.88574 indicates that 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)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-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea. Following Lipinski's Rule of Five, 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)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-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea?
The CAS number of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea is 488132-75-8.
What is the molecular formula of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea?
The molecular formula of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea is C19H19ClN4OS2.
What is the molecular weight of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea?
The molecular weight of 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea is 418.07 g/mol.
Where can I buy 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea?
You can request a quote for 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)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-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.