![(Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione structure](/static/products/283/28371-57-5.png)
(Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione
TL;DR: (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione (CAS 28371-57-5) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N,N-diethylcarbamodithioate
Also Known As: (4-nitrophenyl)methyl diethyldithiocarbamate, Diethyldithiocarbamic acid 4-nitrobenzyl ester, J1.415.855C, (4-nitrophenyl)methyl N,N-diethylcarbamodithioate, N,N-Diethyldithiocarbamic acid 4-nitrobenzyl ester
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.4547 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 416.5905 |
Chemical Identifiers
| CAS Number | 28371-57-5 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
(Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione (CAS 28371-57-5), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: (4-nitrophenyl)methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione
Property Insights of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione
The XLogP value of 3.4547 indicates that (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione has 0 hydrogen bond donor(s) and 4 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 (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione?
The CAS number of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione is 28371-57-5.
What is the molecular formula of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione?
The molecular formula of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione is C12H16N2O2S2.
What is the molecular weight of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione?
The molecular weight of (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione is 284.07 g/mol.
Where can I buy (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione?
You can request a quote for (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (Diethylamino)[(4-nitrophenyl)methylthio]methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.