4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate
TL;DR: 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate (CAS 22428-87-1) is a chemical compound with molecular formula C11H14N2O3S2 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-nitrophenyl)methyl N,N-dimethylcarbamodithioate
Also Known As: 4-methoxy-3-nitrobenzyl dimethylcarbamodithioate, (4-methoxy-3-nitrophenyl)methyl N,N-dimethylcarbamodithioate, (4-Methoxy-3-nitrophenyl)methyl dimethylcarbamodithioate, 1-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N,N-dimethyl-methanethioamide
| Molecular Formula | C11H14N2O3S2 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0446 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 22428-87-1 |
|---|---|
| SMILES | CN(C)C(=S)SCC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | UXPDWSGGGMACOF-UHFFFAOYSA-N |
Product Overview
4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate (CAS 22428-87-1), with molecular formula C11H14N2O3S2 and molecular weight 286.04 g/mol. IUPAC: (4-methoxy-3-nitrophenyl)methyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate
Property Insights of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate has 0 hydrogen bond donor(s) and 5 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 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate?
The CAS number of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate is 22428-87-1.
What is the molecular formula of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate?
The molecular formula of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate is C11H14N2O3S2.
What is the molecular weight of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate?
The molecular weight of 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate is 286.04 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate?
You can request a quote for 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzyl dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.