![(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide structure](/static/products/489/489415-72-7.png)
(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide
TL;DR: (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide (CAS 489415-72-7) is a chemical compound with molecular formula C21H21N5OS4 and molecular weight 487.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[2-(4-methylanilino)-2-sulfanylideneethylidene]amino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide, (E)-2-(2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)-N-(p-tolyl)ethanethioamide, N-[(E)-[2-(4-methylanilino)-2-sulfanylideneethylidene]amino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide, N-{(1E)-3-[(4-methylphenyl)amino]-3-thioxo-1-azaprop-1-enyl}-2-{5-[(4-methylph enyl)methylthio](1,3,4-thiadiazol-2-ylthio)}acetamide
| Molecular Formula | C21H21N5OS4 |
|---|---|
| Molecular Weight | 487.06 g/mol |
| LogP | 5.08084 |
| Topological Polar Surface Area | 79.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.0629 |
| Heavy Atoms | 31 |
| Complexity | 1048.3918 |
Chemical Identifiers
| CAS Number | 489415-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C(=S)NC3=CC=C(C=C3)C |
Product Overview
(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide (CAS 489415-72-7), with molecular formula C21H21N5OS4 and molecular weight 487.06 g/mol. IUPAC: N-[(E)-[2-(4-methylanilino)-2-sulfanylideneethylidene]amino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide
Property Insights of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide
The XLogP value of 5.08084 indicates that (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide. Following Lipinski's Rule of Five, (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide?
The CAS number of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide is 489415-72-7.
What is the molecular formula of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide?
The molecular formula of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide is C21H21N5OS4.
What is the molecular weight of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide?
The molecular weight of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide is 487.06 g/mol.
Where can I buy (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide?
You can request a quote for (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.