Diethyldithiocarbamate
TL;DR: Diethyldithiocarbamate (CAS 392-74-5) is a chemical compound with molecular formula C5H10NS2- and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylcarbamodithioate
Also Known As: Diethyldithiocarbamate, Diethyldithione, Ditiocarb, Imuthiol, Dieca
| Molecular Formula | C5H10NS2- |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.02547 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 392-74-5 |
|---|---|
| SMILES | CCN(CC)C(=S)[S-] |
| InChIKey | LMBWSYZSUOEYSN-UHFFFAOYSA-M |
Product Overview
Diethyldithiocarbamate (CAS 392-74-5), with molecular formula C5H10NS2- and molecular weight 148.03 g/mol. IUPAC: N,N-diethylcarbamodithioate.
Chemical Property Profile of Diethyldithiocarbamate
Property Insights of Diethyldithiocarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyldithiocarbamate. With a topological polar surface area (TPSA) of 36.3 Ų, Diethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Diethyldithiocarbamate?
The CAS number of Diethyldithiocarbamate is 392-74-5.
What is the molecular formula of Diethyldithiocarbamate?
The molecular formula of Diethyldithiocarbamate is C5H10NS2-.
What is the molecular weight of Diethyldithiocarbamate?
The molecular weight of Diethyldithiocarbamate is 148.03 g/mol.
Where can I buy Diethyldithiocarbamate?
You can request a quote for Diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.