(N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium
TL;DR: (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium (CAS 18756-72-4) is a chemical compound with molecular formula C5H10NS2Tl and molecular weight 353.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylcarbamodithioate;thallium(1+)
Also Known As: Thallium diethyldithiocarbamate, Thallium, (diethyldithiocarbamato)-, (Diethylcarbamodithioato-S,S')thallium, CARBAMIC ACID, DIETHYLDITHIO-, THALLIUM COMPLEX, Thallium, (diethylcarbamodithioato-S,S')-
| Molecular Formula | C5H10NS2Tl |
|---|---|
| Molecular Weight | 353.00 g/mol |
| LogP | 0.78 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.99988 |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 18756-72-4 |
|---|---|
| SMILES | CCN(CC)C(=S)[S-].[Tl+] |
| InChIKey | DZDXQECBERXVDV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium (CAS 18756-72-4), with molecular formula C5H10NS2Tl and molecular weight 353.00 g/mol. IUPAC: N,N-diethylcarbamodithioate;thallium(1+).
Chemical Property Profile of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium
Property Insights of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium. With a topological polar surface area (TPSA) of 36.3 Ų, (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium has 0 hydrogen bond donor(s) and 2 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 (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium?
The CAS number of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium is 18756-72-4.
What is the molecular formula of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium?
The molecular formula of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium is C5H10NS2Tl.
What is the molecular weight of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium?
The molecular weight of (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium is 353.00 g/mol.
Where can I buy (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium?
You can request a quote for (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium?
Yes, KEHONG BIO provides custom synthesis services for (N,N-Diethylcarbamodithioato-kappaS,kappaS')thallium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.