![N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea structure](/static/products/6922/692287-74-4.webp)
N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
TL;DR: N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea (CAS 692287-74-4) is a chemical compound with molecular formula C13H13F3N4OS2 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: Bionet1_004933, MixCom3_000249, N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, 3-ethyl-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]urea, 1-ethyl-3-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C13H13F3N4OS2 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 3.9906 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04828 |
| Heavy Atoms | 23 |
| Complexity | 675.2344 |
Chemical Identifiers
| CAS Number | 692287-74-4 |
|---|---|
| SMILES | CCNC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea (CAS 692287-74-4), with molecular formula C13H13F3N4OS2 and molecular weight 362.05 g/mol. IUPAC: 1-ethyl-3-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Property Insights of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 3.9906 indicates that N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]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-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]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-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea?
The CAS number of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea is 692287-74-4.
What is the molecular formula of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea is C13H13F3N4OS2.
What is the molecular weight of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea is 362.05 g/mol.
Where can I buy N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]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-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.