![methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate structure](/static/products/2009/20091-89-8.webp)
methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate
TL;DR: methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate (CAS 20091-89-8) is a chemical compound with molecular formula C11H11N3O3S2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate
Also Known As: 3-[5-2,4-pentadienylidene]dithiocarbazicacidmethylester
| Molecular Formula | C11H11N3O3S2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 2.9805 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.02417 |
| Heavy Atoms | 19 |
| Complexity | 535.04266 |
Chemical Identifiers
| CAS Number | 20091-89-8 |
|---|---|
| SMILES | CSC(=S)NN=CC=CC=CC1=CC=C(O1)[N+](=O)[O-] |
Product Overview
methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate (CAS 20091-89-8), with molecular formula C11H11N3O3S2 and molecular weight 297.02 g/mol. IUPAC: methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate.
Chemical Property Profile of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate
Property Insights of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate
The XLogP value of 2.9805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate. Following Lipinski's Rule of Five, methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate has 1 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 methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate?
The CAS number of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate is 20091-89-8.
What is the molecular formula of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate?
The molecular formula of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate is C11H11N3O3S2.
What is the molecular weight of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate?
The molecular weight of methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate is 297.02 g/mol.
Where can I buy methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate?
You can request a quote for methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[5-(5-nitrofuran-2-yl)penta-2,4-dienylideneamino]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.