![Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate structure](/static/products/1004/1004431-58-6.webp)
Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
TL;DR: Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate (CAS 1004431-58-6) is a chemical compound with molecular formula C13H15N3O2S2 and molecular weight 309.06058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, methyl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Technical Specifications
| Molecular Formula | C13H15N3O2S2 |
| Molecular Weight | 309.06058 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.06058 Da |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
| SMILES | CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)OC |
| InChIKey | RDADTMHAKNQVTM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
Property Insights of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
The XLogP value of 3.8 indicates that Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The CAS number of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 1004431-58-6.
What is the molecular formula of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is C13H15N3O2S2.
What is the molecular weight of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 309.06058 g/mol.
Where can I buy Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-({5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.