![(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide structure](/static/products/498/498536-06-4.png)
(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide
TL;DR: (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide (CAS 498536-06-4) is a chemical compound with molecular formula C20H19N5OS4 and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-anilino-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-phenylethanethioamide, (E)-2-(2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)-N-phenylethanethioamide, N-[(1E)-3-(phenylamino)-3-thioxo-1-azaprop-1-enyl]-2-{5-[(4-methylphenyl)methy lthio](1,3,4-thiadiazol-2-ylthio)}acetamide, N-[(E)-(2-anilino-2-sulfanylideneethylidene)amino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C20H19N5OS4 |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 4.77242 |
| Topological Polar Surface Area | 79.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.04724 |
| Heavy Atoms | 30 |
| Complexity | 1005.551 |
Chemical Identifiers
| CAS Number | 498536-06-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C(=S)NC3=CC=CC=C3 |
Product Overview
(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide (CAS 498536-06-4), with molecular formula C20H19N5OS4 and molecular weight 473.05 g/mol. IUPAC: N-[(E)-(2-anilino-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-phenylethanethioamide
Property Insights of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide
The XLogP value of 4.77242 indicates that (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide 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-phenylethanethioamide. Following Lipinski's Rule of Five, (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide has 2 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 (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide?
The CAS number of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide is 498536-06-4.
What is the molecular formula of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide?
The molecular formula of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide is C20H19N5OS4.
What is the molecular weight of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide?
The molecular weight of (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide is 473.05 g/mol.
Where can I buy (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide?
You can request a quote for (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide 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-phenylethanethioamide?
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-phenylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.