Diethyldithiocarbamic Acid
TL;DR: Diethyldithiocarbamic Acid (CAS 147-84-2) is a chemical compound with molecular formula C5H11NS2 and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethylcarbamodithioic acid
Also Known As: Ditiocarb, Diethyldithiocarbamic acid, Diethylcarbamodithioic acid, Diethyldithione, Diethyl dithiocarbamate
| Molecular Formula | C5H11NS2 |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.0333 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 147-84-2 |
|---|---|
| SMILES | CCN(CC)C(=S)S |
| InChIKey | LMBWSYZSUOEYSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyldithiocarbamic Acid (CAS 147-84-2), with molecular formula C5H11NS2 and molecular weight 149.03 g/mol. IUPAC: diethylcarbamodithioic acid.
Chemical Property Profile of Diethyldithiocarbamic Acid
Property Insights of Diethyldithiocarbamic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyldithiocarbamic Acid. With a topological polar surface area (TPSA) of 36.3 Ų, Diethyldithiocarbamic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyldithiocarbamic Acid has 1 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 Diethyldithiocarbamic Acid?
The CAS number of Diethyldithiocarbamic Acid is 147-84-2.
What is the molecular formula of Diethyldithiocarbamic Acid?
The molecular formula of Diethyldithiocarbamic Acid is C5H11NS2.
What is the molecular weight of Diethyldithiocarbamic Acid?
The molecular weight of Diethyldithiocarbamic Acid is 149.03 g/mol.
Where can I buy Diethyldithiocarbamic Acid?
You can request a quote for Diethyldithiocarbamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyldithiocarbamic Acid?
Yes, KEHONG BIO provides custom synthesis services for Diethyldithiocarbamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.