Dimercaprol
TL;DR: Dimercaprol (CAS 59-52-9) is a chemical compound with molecular formula C3H8OS2 and molecular weight 124.001656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(sulfanyl)propan-1-ol
Also Known As: DIMERCAPROL, 2,3-Dimercapto-1-propanol, Sulfactin, Dithioglycerine, Dicaptol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8OS2 |
| Molecular Weight | 124.001656 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 22.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.001656 Da |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Melting Point | < 25 °C |
| Boiling Point | 248 °F at 15 mmHg (NTP, 1992) |
| Density | 1.2463 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | 4.92 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5720 at 25 °C/D |
| Solubility | 10 to 50 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(C(CS)S)O |
| InChIKey | WQABCVAJNWAXTE-UHFFFAOYSA-N |
Product Description
Applications: Dimercaprol 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).
A pharmaceutical intermediate supplied by CoreyChem, Dimercaprol (CAS 59-52-9) has the molecular formula C3H8OS2 and a molecular weight of 124 g/mol. Reported properties include a density of 1.2463 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: 10 to 50 mg/mL at 68 °F (NTP, 1992). Synonyms include DIMERCAPROL and 2,3-Dimercapto-1-propanol.
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 Dimercaprol
Property Insights of Dimercaprol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimercaprol. With a topological polar surface area (TPSA) of 22.2 Ų, Dimercaprol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimercaprol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimercaprol?
The CAS number of Dimercaprol is 59-52-9.
What is the molecular formula of Dimercaprol?
The molecular formula of Dimercaprol is C3H8OS2.
What is the molecular weight of Dimercaprol?
The molecular weight of Dimercaprol is 124.001656 g/mol.
What are the applications of Dimercaprol?
Dimercaprol 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...
Where can I buy Dimercaprol?
You can request a quote for Dimercaprol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimercaprol?
Yes, CoreyChem provides custom synthesis services for Dimercaprol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.