1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
TL;DR: 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 886934-53-8) is a chemical compound with molecular formula C12H11FN4OS2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-(4-fluorophenyl)-3-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, F2680-0164, 1-(4-fluorophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
| Molecular Formula | C12H11FN4OS2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 3.5993 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.03583 |
| Heavy Atoms | 20 |
| Complexity | 599.7597 |
Chemical Identifiers
| CAS Number | 886934-53-8 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)F |
Product Overview
1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 886934-53-8), with molecular formula C12H11FN4OS2 and molecular weight 310.04 g/mol. IUPAC: 1-(4-fluorophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
Property Insights of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
The XLogP value of 3.5993 indicates that 1-(5-(Allylthio)-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-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)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-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The CAS number of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 886934-53-8.
What is the molecular formula of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular formula of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is C12H11FN4OS2.
What is the molecular weight of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular weight of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 310.04 g/mol.
Where can I buy 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
You can request a quote for 1-(5-(Allylthio)-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-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.