![Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester structure](/static/products/1135/113520-78-8.webp)
Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester
TL;DR: Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester (CAS 113520-78-8) is a chemical compound with molecular formula C8H13N3O4S and molecular weight 247.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(carbamothioylhydrazinylidene)propanedioate
Also Known As: diethyl 2-(carbamothioylhydrazinylidene)propanedioate, Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester, 1,3-diethyl 2-[(carbamothioylamino)imino]propanedioate, Diethyl (2-carbamothioylhydrazinylidene)propanedioate, Propanedioic acid,[(aminothioxomethyl)hydrazono]-,diethyl ester
Technical Specifications
| Molecular Formula | C8H13N3O4S |
| Molecular Weight | 247.06268 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.06268 Da |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| SMILES | CCOC(=O)C(=NNC(=S)N)C(=O)OCC |
| InChIKey | IFAOZPBVNHQZEF-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester
Property Insights of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester?
The CAS number of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester is 113520-78-8.
What is the molecular formula of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester?
The molecular formula of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester is C8H13N3O4S.
What is the molecular weight of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester?
The molecular weight of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester is 247.06268 g/mol.
Where can I buy Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester?
You can request a quote for Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.