1,6-Hexanedithiol
TL;DR: 1,6-Hexanedithiol (CAS 1191-43-1) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexane-1,6-dithiol
Also Known As: 1,6-HEXANEDITHIOL, Hexane-1,6-dithiol, 1,6-Dimercaptohexane, Hexamethylene dimercaptan, 1,6-Hexane dithiol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14S2 |
| Molecular Weight | 150.0537 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.0537 Da |
| Heavy Atoms | 8 |
| Complexity | 31.0 |
| Melting Point | -21.00 °C. @ 760.00 mm Hg |
| Boiling Point | 118.00 to 119.00 °C. @ 15.00 mm Hg |
| Density | 0.983-0.995 |
| Refractive Index | 1.511-1.5140 |
| Solubility | insoluble in water; miscible in fat |
| SMILES | C(CCCS)CCS |
| InChIKey | SRZXCOWFGPICGA-UHFFFAOYSA-N |
Chemical Property Profile of 1,6-Hexanedithiol
Property Insights of 1,6-Hexanedithiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Hexanedithiol. With a topological polar surface area (TPSA) of 2.0 Ų, 1,6-Hexanedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Hexanedithiol 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 1,6-Hexanedithiol?
The CAS number of 1,6-Hexanedithiol is 1191-43-1.
What is the molecular formula of 1,6-Hexanedithiol?
The molecular formula of 1,6-Hexanedithiol is C6H14S2.
What is the molecular weight of 1,6-Hexanedithiol?
The molecular weight of 1,6-Hexanedithiol is 150.0537 g/mol.
Where can I buy 1,6-Hexanedithiol?
You can request a quote for 1,6-Hexanedithiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,6-Hexanedithiol?
Yes, CoreyChem provides custom synthesis services for 1,6-Hexanedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.