(E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 406202-66-2) is a chemical compound with molecular formula C20H16ClN5O3S3 and molecular weight 505.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
| Molecular Formula | C20H16ClN5O3S3 |
|---|---|
| Molecular Weight | 505.01 g/mol |
| LogP | 5.2995 |
| Topological Polar Surface Area | 110.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.01038 |
| Heavy Atoms | 32 |
| Complexity | 1135.5188 |
Chemical Identifiers
| CAS Number | 406202-66-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=N/NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
(E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 406202-66-2), with molecular formula C20H16ClN5O3S3 and molecular weight 505.01 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
The XLogP value of 5.2995 indicates that (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 406202-66-2.
What is the molecular formula of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is C20H16ClN5O3S3.
What is the molecular weight of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 505.01 g/mol.
Where can I buy (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.