1,3-Dithiolane-4-methanol
TL;DR: 1,3-Dithiolane-4-methanol (CAS 5862-51-1) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dithiolan-4-ylmethanol
Also Known As: 1,3-DITHIOLANE-4-METHANOL, 1,3-dithiolan-4-ylmethanol, (1,3-Dithiolan-4-yl)methanol, 4-hydroxymethyl-1,3-dithiolane, 5-19-02-00343 (Beilstein Handbook Reference)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8OS2 |
| Molecular Weight | 136.00166 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.00166 Da |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
| SMILES | C1C(SCS1)CO |
| InChIKey | NJXOBTJELQJDER-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolane-4-methanol
Property Insights of 1,3-Dithiolane-4-methanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane-4-methanol. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-4-methanol. Following Lipinski's Rule of Five, 1,3-Dithiolane-4-methanol has 1 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 1,3-Dithiolane-4-methanol?
The CAS number of 1,3-Dithiolane-4-methanol is 5862-51-1.
What is the molecular formula of 1,3-Dithiolane-4-methanol?
The molecular formula of 1,3-Dithiolane-4-methanol is C4H8OS2.
What is the molecular weight of 1,3-Dithiolane-4-methanol?
The molecular weight of 1,3-Dithiolane-4-methanol is 136.00166 g/mol.
Where can I buy 1,3-Dithiolane-4-methanol?
You can request a quote for 1,3-Dithiolane-4-methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolane-4-methanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.