Diethyldithiocarbamic Acid
TL;DR: Diethyldithiocarbamic Acid (CAS 147-84-2) is a chemical compound with molecular formula C5H11NS2 and molecular weight 149.0333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethylcarbamodithioic acid
Also Known As: Ditiocarb, Diethyldithiocarbamic acid, Diethylcarbamodithioic acid, Diethyldithione, Diethyl dithiocarbamate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NS2 |
| Molecular Weight | 149.0333 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.0333 Da |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
| SMILES | CCN(CC)C(=S)S |
| InChIKey | LMBWSYZSUOEYSN-UHFFFAOYSA-N |
Product Description
Applications: Diethyldithiocarbamic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Diethyldithiocarbamic Acid is a pharmaceutical intermediate identified by CAS number 147-84-2 and the molecular formula C5H11NS2 and a molecular weight of 149.03 g/mol. Synonyms include Ditiocarb and Diethyldithiocarbamic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 149.0333 g/mol.
What are the applications of Diethyldithiocarbamic Acid?
Diethyldithiocarbamic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Diethyldithiocarbamic Acid?
You can request a quote for Diethyldithiocarbamic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyldithiocarbamic Acid?
Yes, CoreyChem provides custom synthesis services for Diethyldithiocarbamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.