1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea (CAS 886938-63-2) is a chemical compound with molecular formula C10H18N4OS2 and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea, 3-tert-butyl-1-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, 1-tert-butyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea, F2680-0623
| Molecular Formula | C10H18N4OS2 |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.9602 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0922 |
| Heavy Atoms | 17 |
| Complexity | 372.62796 |
Chemical Identifiers
| CAS Number | 886938-63-2 |
|---|---|
| SMILES | CCCSC1=NN=C(S1)NC(=O)NC(C)(C)C |
Product Overview
1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea (CAS 886938-63-2), with molecular formula C10H18N4OS2 and molecular weight 274.09 g/mol. IUPAC: 1-tert-butyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 2.9602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Tert-butyl)-3-(5-(propylthio)-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-(propylthio)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(Tert-butyl)-3-(5-(propylthio)-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 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea is 886938-63-2.
What is the molecular formula of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea is C10H18N4OS2.
What is the molecular weight of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea is 274.09 g/mol.
Where can I buy 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(Tert-butyl)-3-(5-(propylthio)-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-(propylthio)-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.