Disulfiram
TL;DR: Disulfiram (CAS 97-77-8) is a chemical compound with molecular formula C10H20N2S4 and molecular weight 296.05093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Also Known As: disulfiram, Tetraethylthiuram disulfide, Antabuse, Antabus, Esperal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20N2S4 |
| Molecular Weight | 296.05093 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.05093 Da |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
| Melting Point | 158 °F (NTP, 1992) |
| Boiling Point | 243 °F at 17 mmHg (NTP, 1992) |
| Density | 1.27 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0 mmHg at 68 °F approximately (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCN(CC)C(=S)SSC(=S)N(CC)CC |
| InChIKey | AUZONCFQVSMFAP-UHFFFAOYSA-N |
Product Description
Applications: Disulfiram is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. 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).
Disulfiram (CAS 97-77-8) is a pharmaceutical intermediate with the molecular formula C10H20N2S4 and a molecular weight of 296.05 g/mol. Key physical properties include a density of 1.27 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992). Synonyms include disulfiram and Tetraethylthiuram disulfide.
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 Disulfiram
Property Insights of Disulfiram
The XLogP value of 3.9 indicates that Disulfiram is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disulfiram. Following Lipinski's Rule of Five, Disulfiram has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Disulfiram?
The CAS number of Disulfiram is 97-77-8.
What is the molecular formula of Disulfiram?
The molecular formula of Disulfiram is C10H20N2S4.
What is the molecular weight of Disulfiram?
The molecular weight of Disulfiram is 296.05093 g/mol.
What are the applications of Disulfiram?
Disulfiram is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. 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...
Where can I buy Disulfiram?
You can request a quote for Disulfiram directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Disulfiram?
Yes, CoreyChem provides custom synthesis services for Disulfiram and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.