![Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester structure](/static/products/127/127227-40-1.webp)
Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
TL;DR: Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester (CAS 127227-40-1) is a chemical compound with molecular formula C23H17ClN6O2S2 and molecular weight 508.0543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[5-[5-hydroxy-4-(indol-3-ylidenemethyl)-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(4-chloroanilino)ethanethioate
Also Known As: Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
Technical Specifications
| Molecular Formula | C23H17ClN6O2S2 |
| Molecular Weight | 508.0543 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.0543 Da |
| Heavy Atoms | 34 |
| Complexity | 795.0 |
| SMILES | CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=C(C=C3)Cl)O)C=C4C=NC5=CC=CC=C54 |
| InChIKey | WDTXYEWZEQQAEP-UHFFFAOYSA-N |
Chemical Property Profile of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
Property Insights of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
The XLogP value of 5.1 indicates that Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The CAS number of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is 127227-40-1.
What is the molecular formula of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The molecular formula of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is C23H17ClN6O2S2.
What is the molecular weight of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The molecular weight of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is 508.0543 g/mol.
Where can I buy Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
You can request a quote for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
Yes, CoreyChem provides custom synthesis services for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.