S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
TL;DR: S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate (CAS 21521-73-3) is a chemical compound with molecular formula C8H11N3O4S2 and molecular weight 277.0191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl [5-(ethoxycarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylformate
Also Known As: S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate, ethyl [5-(ethoxycarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylformate, S-[5-[(ETHOXYCARBONYL)AMINO]-1,3,4-THIADIAZOL-2-YL] O-ETHYL THIOCARBONATE, s-{5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl} o-ethylcarbonothioate, Carbonothioic acid, S-[5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl] O-ethyl ester
Technical Specifications
| Molecular Formula | C8H11N3O4S2 |
| Molecular Weight | 277.0191 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.0191 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | CCOC(=O)NC1=NN=C(S1)SC(=O)OCC |
| InChIKey | VHIGDMHBSGYTSE-UHFFFAOYSA-N |
Chemical Property Profile of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
Property Insights of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate. The TPSA of 144.0 Ų indicates high polarity, suggesting S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The CAS number of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is 21521-73-3.
What is the molecular formula of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The molecular formula of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is C8H11N3O4S2.
What is the molecular weight of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The molecular weight of S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is 277.0191 g/mol.
Where can I buy S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
You can request a quote for S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
Yes, CoreyChem provides custom synthesis services for S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.