Tris(dibutyldithiocarbamato-S,S')iron
TL;DR: Tris(dibutyldithiocarbamato-S,S')iron (CAS 14526-32-0) is a chemical compound with molecular formula C27H54FeN3S6 and molecular weight 668.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(N,N-dibutylcarbamodithioate);iron(3+)
Also Known As: N,N-dibutylcarbamodithioate;iron(3+), Tris(dibutyldithiocarbamato-S,S')iron, iron(3+) tris(dibutylcarbamodithioate), N,N-dibutylcarbamodithioate; iron(3+), tris(dibutyldithiocarbamato-S,S/')iron
| Molecular Formula | C27H54FeN3S6 |
|---|---|
| Molecular Weight | 668.20 g/mol |
| LogP | 8.16 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 668.19916 |
| Heavy Atoms | 37 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 14526-32-0 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Fe+3] |
| InChIKey | QGVNKIAXCPDWKJ-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(dibutyldithiocarbamato-S,S')iron (CAS 14526-32-0), with molecular formula C27H54FeN3S6 and molecular weight 668.20 g/mol. IUPAC: tris(N,N-dibutylcarbamodithioate);iron(3+).
Chemical Property Profile of Tris(dibutyldithiocarbamato-S,S')iron
Property Insights of Tris(dibutyldithiocarbamato-S,S')iron
The XLogP value of 8.16 indicates that Tris(dibutyldithiocarbamato-S,S')iron 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 Tris(dibutyldithiocarbamato-S,S')iron. Following Lipinski's Rule of Five, Tris(dibutyldithiocarbamato-S,S')iron 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 Tris(dibutyldithiocarbamato-S,S')iron?
The CAS number of Tris(dibutyldithiocarbamato-S,S')iron is 14526-32-0.
What is the molecular formula of Tris(dibutyldithiocarbamato-S,S')iron?
The molecular formula of Tris(dibutyldithiocarbamato-S,S')iron is C27H54FeN3S6.
What is the molecular weight of Tris(dibutyldithiocarbamato-S,S')iron?
The molecular weight of Tris(dibutyldithiocarbamato-S,S')iron is 668.20 g/mol.
Where can I buy Tris(dibutyldithiocarbamato-S,S')iron?
You can request a quote for Tris(dibutyldithiocarbamato-S,S')iron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(dibutyldithiocarbamato-S,S')iron?
Yes, KEHONG BIO provides custom synthesis services for Tris(dibutyldithiocarbamato-S,S')iron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.