![Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate structure](/static/products/935/93505-49-8.png)
Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate
TL;DR: Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate (CAS 93505-49-8) 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 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate
Also Known As: diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate, Thiosemicarbazidomethylen-malonsaeurediaethylester, Diethyl [(2-carbamothioylhydrazin-1-yl)methylidene]propanedioate
| Molecular Formula | C9H15N3O4S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | -0.6657 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.07834 |
| Heavy Atoms | 17 |
| Complexity | 310.20267 |
Chemical Identifiers
| CAS Number | 93505-49-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNNC(=S)N)C(=O)OCC |
Product Overview
Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate (CAS 93505-49-8), with molecular formula C9H15N3O4S and molecular weight 261.08 g/mol. IUPAC: diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate
Property Insights of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate
The XLogP value of -0.6657 indicates that Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate has 3 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 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate?
The CAS number of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate is 93505-49-8.
What is the molecular formula of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate is C9H15N3O4S.
What is the molecular weight of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate is 261.08 g/mol.
Where can I buy Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(2-carbamothioylhydrazinyl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.