2,5-Dimethyl-1,4-dithiane
TL;DR: 2,5-Dimethyl-1,4-dithiane (CAS 72033-37-5) is a chemical compound with molecular formula C6H12S2 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1,4-dithiane
Also Known As: 2,5-Dimethyl-1,4-dithiane, 2,5-Dimethyl-dithiane, p-DITHIANE, 2,5-DIMETHYL-, 1,4-Dithiane, 3,6-dimethyl, 1,4-Dithiacyclohexane, 3,6-dimethyl
| Molecular Formula | C6H12S2 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03804 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 72033-37-5 |
|---|---|
| SMILES | CC1CSC(CS1)C |
| InChIKey | OGQAHQBLZPEVNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-1,4-dithiane (CAS 72033-37-5), with molecular formula C6H12S2 and molecular weight 148.04 g/mol. IUPAC: 2,5-dimethyl-1,4-dithiane.
Chemical Property Profile of 2,5-Dimethyl-1,4-dithiane
Property Insights of 2,5-Dimethyl-1,4-dithiane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1,4-dithiane. With a topological polar surface area (TPSA) of 50.6 Ų, 2,5-Dimethyl-1,4-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1,4-dithiane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dimethyl-1,4-dithiane?
The CAS number of 2,5-Dimethyl-1,4-dithiane is 72033-37-5.
What is the molecular formula of 2,5-Dimethyl-1,4-dithiane?
The molecular formula of 2,5-Dimethyl-1,4-dithiane is C6H12S2.
What is the molecular weight of 2,5-Dimethyl-1,4-dithiane?
The molecular weight of 2,5-Dimethyl-1,4-dithiane is 148.04 g/mol.
Where can I buy 2,5-Dimethyl-1,4-dithiane?
You can request a quote for 2,5-Dimethyl-1,4-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1,4-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1,4-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.