![3-[2-3- allylidene]dithiocarbazicacidmethylester structure](/static/products/2009/20091-93-4.webp)
3-[2-3- allylidene]dithiocarbazicacidmethylester
TL;DR: 3-[2-3- allylidene]dithiocarbazicacidmethylester (CAS 20091-93-4) is a chemical compound with molecular formula C12H15N3O4S2 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[2-(ethoxymethyl)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate
Also Known As: 3-[2-3- allylidene]dithiocarbazicacidmethylester
| Molecular Formula | C12H15N3O4S2 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 2.831 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.05038 |
| Heavy Atoms | 21 |
| Complexity | 554.4524 |
Chemical Identifiers
| CAS Number | 20091-93-4 |
|---|---|
| SMILES | CCOCC(=CC1=CC=C(O1)[N+](=O)[O-])C=NNC(=S)SC |
Product Overview
3-[2-3- allylidene]dithiocarbazicacidmethylester (CAS 20091-93-4), with molecular formula C12H15N3O4S2 and molecular weight 329.05 g/mol. IUPAC: methyl N-[[2-(ethoxymethyl)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate.
Chemical Property Profile of 3-[2-3- allylidene]dithiocarbazicacidmethylester
Property Insights of 3-[2-3- allylidene]dithiocarbazicacidmethylester
The XLogP value of 2.831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-3- allylidene]dithiocarbazicacidmethylester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-3- allylidene]dithiocarbazicacidmethylester. Following Lipinski's Rule of Five, 3-[2-3- allylidene]dithiocarbazicacidmethylester has 1 hydrogen bond donor(s) and 7 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 3-[2-3- allylidene]dithiocarbazicacidmethylester?
The CAS number of 3-[2-3- allylidene]dithiocarbazicacidmethylester is 20091-93-4.
What is the molecular formula of 3-[2-3- allylidene]dithiocarbazicacidmethylester?
The molecular formula of 3-[2-3- allylidene]dithiocarbazicacidmethylester is C12H15N3O4S2.
What is the molecular weight of 3-[2-3- allylidene]dithiocarbazicacidmethylester?
The molecular weight of 3-[2-3- allylidene]dithiocarbazicacidmethylester is 329.05 g/mol.
Where can I buy 3-[2-3- allylidene]dithiocarbazicacidmethylester?
You can request a quote for 3-[2-3- allylidene]dithiocarbazicacidmethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-3- allylidene]dithiocarbazicacidmethylester?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-3- allylidene]dithiocarbazicacidmethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.