![N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea structure](/static/products/6922/692287-73-3.webp)
N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
TL;DR: N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea (CAS 692287-73-3) is a chemical compound with molecular formula C12H13FN4OS2 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea, 1-ethyl-3-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea, 3-ethyl-1-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, C12H13FN4OS2
| Molecular Formula | C12H13FN4OS2 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.1109 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.05148 |
| Heavy Atoms | 20 |
| Complexity | 590.34125 |
Chemical Identifiers
| CAS Number | 692287-73-3 |
|---|---|
| SMILES | CCNC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)F |
Product Overview
N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea (CAS 692287-73-3), with molecular formula C12H13FN4OS2 and molecular weight 312.05 g/mol. IUPAC: 1-ethyl-3-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Property Insights of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
The XLogP value of 3.1109 indicates that N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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 N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea. Following Lipinski's Rule of Five, N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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 N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea?
The CAS number of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea is 692287-73-3.
What is the molecular formula of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular formula of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea is C12H13FN4OS2.
What is the molecular weight of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular weight of N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea is 312.05 g/mol.
Where can I buy N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea?
You can request a quote for N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N'-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.