1,3-Propanedithiol
TL;DR: 1,3-Propanedithiol (CAS 109-80-8) is a chemical compound with molecular formula C3H8S2 and molecular weight 108.006744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propane-1,3-dithiol
Also Known As: 1,3-Propanedithiol, Propane-1,3-dithiol, 1,3-DIMERCAPTOPROPANE, Trimethylenedithiol, Trimethylene dimercaptan
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8S2 |
| Molecular Weight | 108.006744 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.006744 Da |
| Heavy Atoms | 5 |
| Complexity | 12.0 |
| Melting Point | -110 °F (NTP, 1992) |
| Boiling Point | 336 °F at 760 mmHg (NTP, 1992) |
| Density | 1.0722 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 138 °F (NTP, 1992) |
| Vapor Pressure | 16.3 mmHg at 28 °F ; 22.8 mmHg at 77 °F; 34.6 mmHg at 108 °F (NTP, 1992) |
| Refractive Index | 1.537-1.539 |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C(CS)CS |
| InChIKey | ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Propanedithiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Propanedithiol (CAS 109-80-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1,3-Propanedithiol (CAS 109-80-8) has the molecular formula C3H8S2 and a molecular weight of 108.01 g/mol. Reported properties include a density of 1.0722 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as 1,3-Propanedithiol and Propane-1,3-dithiol.
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 1,3-Propanedithiol
Property Insights of 1,3-Propanedithiol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanedithiol. With a topological polar surface area (TPSA) of 2.0 Ų, 1,3-Propanedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanedithiol has 2 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 1,3-Propanedithiol?
The CAS number of 1,3-Propanedithiol is 109-80-8.
What is the molecular formula of 1,3-Propanedithiol?
The molecular formula of 1,3-Propanedithiol is C3H8S2.
What is the molecular weight of 1,3-Propanedithiol?
The molecular weight of 1,3-Propanedithiol is 108.006744 g/mol.
What are the applications of 1,3-Propanedithiol?
1,3-Propanedithiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Propanedithiol (CAS 109-80-8)...
Where can I buy 1,3-Propanedithiol?
You can request a quote for 1,3-Propanedithiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanedithiol?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.