Benzyl Diethyldithiocarbamate
TL;DR: Benzyl Diethyldithiocarbamate (CAS 3052-61-7) is a chemical compound with molecular formula C12H17NS2 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N,N-diethylcarbamodithioate
Also Known As: Benzyl diethyldithiocarbamate, Benzyl diethylcarbamodithioate, Kaback, BEDC, Diethyldithiocarbamic Acid Benzyl Ester
| Molecular Formula | C12H17NS2 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.08025 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 3052-61-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=CC=CC=C1 |
| InChIKey | SNBMGLUIIGFNFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl Diethyldithiocarbamate (CAS 3052-61-7), with molecular formula C12H17NS2 and molecular weight 239.08 g/mol. IUPAC: benzyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Benzyl Diethyldithiocarbamate
Property Insights of Benzyl Diethyldithiocarbamate
The XLogP value of 3.5 indicates that Benzyl Diethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl Diethyldithiocarbamate. Following Lipinski's Rule of Five, Benzyl Diethyldithiocarbamate 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 Benzyl Diethyldithiocarbamate?
The CAS number of Benzyl Diethyldithiocarbamate is 3052-61-7.
What is the molecular formula of Benzyl Diethyldithiocarbamate?
The molecular formula of Benzyl Diethyldithiocarbamate is C12H17NS2.
What is the molecular weight of Benzyl Diethyldithiocarbamate?
The molecular weight of Benzyl Diethyldithiocarbamate is 239.08 g/mol.
Where can I buy Benzyl Diethyldithiocarbamate?
You can request a quote for Benzyl Diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.