1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea (CAS 898436-83-4) is a chemical compound with molecular formula C14H17N5O3S2 and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: F2680-0711, 3-tert-butyl-1-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, 1-(tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea, 1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea, 2-(3-tert-butylureido)-5-[(m-nitrophenyl)methylthio]-1,3,4-thiadiazole
| Molecular Formula | C14H17N5O3S2 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 3.6586 |
| Topological Polar Surface Area | 110.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.07727 |
| Heavy Atoms | 24 |
| Complexity | 742.0063 |
Chemical Identifiers
| CAS Number | 898436-83-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea (CAS 898436-83-4), with molecular formula C14H17N5O3S2 and molecular weight 367.08 g/mol. IUPAC: 1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 3.6586 indicates that 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea has 2 hydrogen bond donor(s) and 7 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-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea is 898436-83-4.
What is the molecular formula of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea is C14H17N5O3S2.
What is the molecular weight of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea is 367.08 g/mol.
Where can I buy 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-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-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butyl)-3-(5-((3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.