![2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole structure](/static/products/497/497247-97-9.png)
2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole
TL;DR: 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole (CAS 497247-97-9) is a chemical compound with molecular formula C22H15N5O2S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole
Also Known As: 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole, 1-benzothiazol-2-yl-3-[(4-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole, 2-(3-((4-nitrobenzyl)thio)-5-phenyl-1H-1,2,4-triazol-1-yl)benzo[d]thiazole, 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole, 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]benzothiazole
| Molecular Formula | C22H15N5O2S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 5.7445 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0667 |
| Heavy Atoms | 31 |
| Complexity | 1330.9738 |
Chemical Identifiers
| CAS Number | 497247-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole (CAS 497247-97-9), with molecular formula C22H15N5O2S2 and molecular weight 445.07 g/mol. IUPAC: 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole.
Chemical Property Profile of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole
Property Insights of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole
The XLogP value of 5.7445 indicates that 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole?
The CAS number of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole is 497247-97-9.
What is the molecular formula of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole?
The molecular formula of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole is C22H15N5O2S2.
What is the molecular weight of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole?
The molecular weight of 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole is 445.07 g/mol.
Where can I buy 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole?
You can request a quote for 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.