diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate
TL;DR: diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate (CAS 99064-06-9) is a chemical compound with molecular formula C9H15N3O4S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2Z)-2-(carbamothioylhydrazinylidene)butanedioate
Also Known As: (Z)-diethyl 2-(2-carbamothioylhydrazono)succinate, diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate, diethyl (2Z)-2-(carbamothioylhydrazinylidene)butanedioate
| Molecular Formula | C9H15N3O4S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | -0.3081 |
| Topological Polar Surface Area | 103.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.07834 |
| Heavy Atoms | 17 |
| Complexity | 330.20267 |
Chemical Identifiers
| CAS Number | 99064-06-9 |
|---|---|
| SMILES | CCOC(=O)C/C(=N/NC(=S)N)/C(=O)OCC |
Product Overview
diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate (CAS 99064-06-9), with molecular formula C9H15N3O4S and molecular weight 261.08 g/mol. IUPAC: diethyl (2Z)-2-(carbamothioylhydrazinylidene)butanedioate.
Chemical Property Profile of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate
Property Insights of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate
The XLogP value of -0.3081 indicates that diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.01 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate. Following Lipinski's Rule of Five, diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate 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
Frequently Asked Questions
What is the CAS number of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate?
The CAS number of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate is 99064-06-9.
What is the molecular formula of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate?
The molecular formula of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate is C9H15N3O4S.
What is the molecular weight of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate?
The molecular weight of diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate is 261.08 g/mol.
Where can I buy diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate?
You can request a quote for diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2Z)-2-(2-carbamothioylhydrazinylidene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.