1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
TL;DR: 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea (CAS 898435-95-5) is a chemical compound with molecular formula C11H12N4OS2 and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, F2680-0001, 1-(4-methylphenyl)-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)urea, 1-(4-methylphenyl)-3-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, 5-(methylthio)-2-[3-(p-tolyl)ureido]-1,3,4-thiadiazole
| Molecular Formula | C11H12N4OS2 |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 3.21242 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.04526 |
| Heavy Atoms | 18 |
| Complexity | 538.23114 |
Chemical Identifiers
| CAS Number | 898435-95-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SC |
Product Overview
1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea (CAS 898435-95-5), with molecular formula C11H12N4OS2 and molecular weight 280.05 g/mol. IUPAC: 1-(4-methylphenyl)-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
Property Insights of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
The XLogP value of 3.21242 indicates that 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)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-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea. Following Lipinski's Rule of Five, 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The CAS number of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is 898435-95-5.
What is the molecular formula of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The molecular formula of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is C11H12N4OS2.
What is the molecular weight of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The molecular weight of 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is 280.05 g/mol.
Where can I buy 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
You can request a quote for 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)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-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.