1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CAS 793677-90-4) is a chemical compound with molecular formula C9H16N4OS and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea, Urea, N-(1,1-dimethylethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
| Molecular Formula | C9H16N4OS |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 2.0205 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.10448 |
| Heavy Atoms | 15 |
| Complexity | 342.1267 |
Chemical Identifiers
| CAS Number | 793677-90-4 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)NC(C)(C)C |
Product Overview
1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CAS 793677-90-4), with molecular formula C9H16N4OS and molecular weight 228.10 g/mol. IUPAC: 1-tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 2.0205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has 2 hydrogen bond donor(s) and 4 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-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is 793677-90-4.
What is the molecular formula of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is C9H16N4OS.
What is the molecular weight of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is 228.10 g/mol.
Where can I buy 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-Tert-butyl-3-(5-ethyl-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 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.