2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 476464-71-8) is a chemical compound with molecular formula C18H16N4O3S3 and molecular weight 432.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, F0529-0567, 2-(benzylsulfanyl)-N-(5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide, 2-benzylsulfanyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C18H16N4O3S3 |
|---|---|
| Molecular Weight | 432.04 g/mol |
| LogP | 4.6105 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.03845 |
| Heavy Atoms | 28 |
| Complexity | 932.7636 |
Chemical Identifiers
| CAS Number | 476464-71-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 476464-71-8), with molecular formula C18H16N4O3S3 and molecular weight 432.04 g/mol. IUPAC: 2-benzylsulfanyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 4.6105 indicates that 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 8 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 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 476464-71-8.
What is the molecular formula of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is C18H16N4O3S3.
What is the molecular weight of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 432.04 g/mol.
Where can I buy 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.