二乙基二硫代氨基甲酸铁
TL;DR: 二乙基二硫代氨基甲酸铁 (CAS 13963-59-2) is a chemical compound with molecular formula C15H30FeN3S6 and molecular weight 500.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基二硫代氨基甲酸铁
tris(N,N-diethylcarbamodithioate);iron(3+)
Also Known As: Iron diethyldithiocarbamate, Iron(III) diethyldithiocarbamate, Iron, tris(diethyldithiocarbamato)-, Diethyldithiocarbamic Acid Ferric Salt, Iron tris(diethyldithiocarbamate)
| Molecular Formula | C15H30FeN3S6 |
|---|---|
| Molecular Weight | 500.01 g/mol |
| LogP | 3.48 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.01132 |
| Heavy Atoms | 25 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 13963-59-2 |
|---|---|
| SMILES | CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Fe+3] |
| InChIKey | WGPCJVLKOFIRMS-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙基二硫代氨基甲酸铁 (CAS 13963-59-2), with molecular formula C15H30FeN3S6 and molecular weight 500.01 g/mol. IUPAC: tris(N,N-diethylcarbamodithioate);iron(3+).
Chemical Property Profile of 二乙基二硫代氨基甲酸铁
Property Insights of 二乙基二硫代氨基甲酸铁
The XLogP value of 3.48 indicates that 二乙基二硫代氨基甲酸铁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二乙基二硫代氨基甲酸铁. Following Lipinski's Rule of Five, 二乙基二硫代氨基甲酸铁 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二乙基二硫代氨基甲酸铁?
The CAS number of 二乙基二硫代氨基甲酸铁 is 13963-59-2.
What is the molecular formula of 二乙基二硫代氨基甲酸铁?
The molecular formula of 二乙基二硫代氨基甲酸铁 is C15H30FeN3S6.
What is the molecular weight of 二乙基二硫代氨基甲酸铁?
The molecular weight of 二乙基二硫代氨基甲酸铁 is 500.01 g/mol.
Where can I buy 二乙基二硫代氨基甲酸铁?
You can request a quote for 二乙基二硫代氨基甲酸铁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基二硫代氨基甲酸铁?
Yes, KEHONG BIO provides custom synthesis services for 二乙基二硫代氨基甲酸铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.