2,2-Dimethyl-1,3-dithiane-1-oxide
TL;DR: 2,2-Dimethyl-1,3-dithiane-1-oxide (CAS 41893-06-5) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1,3-dithiane 1-oxide
Also Known As: 2,2-dimethyl-1,3-dithiane-1-oxide, 2,2-Dimethyl-1,3-dithiane 1-oxide, 2,2-Dimethyl-1,3-dithiane 1-oxide #, 1,3-Dithiane, 2,2-dimethyl-, 1-oxide
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 41893-06-5 |
|---|---|
| SMILES | CC1(SCCCS1=O)C |
| InChIKey | YJZNKYDKTBJXRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1,3-dithiane-1-oxide (CAS 41893-06-5), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: 2,2-dimethyl-1,3-dithiane 1-oxide.
Chemical Property Profile of 2,2-Dimethyl-1,3-dithiane-1-oxide
Property Insights of 2,2-Dimethyl-1,3-dithiane-1-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-dithiane-1-oxide. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-1,3-dithiane-1-oxide. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-dithiane-1-oxide has 0 hydrogen bond donor(s) and 3 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 2,2-Dimethyl-1,3-dithiane-1-oxide?
The CAS number of 2,2-Dimethyl-1,3-dithiane-1-oxide is 41893-06-5.
What is the molecular formula of 2,2-Dimethyl-1,3-dithiane-1-oxide?
The molecular formula of 2,2-Dimethyl-1,3-dithiane-1-oxide is C6H12OS2.
What is the molecular weight of 2,2-Dimethyl-1,3-dithiane-1-oxide?
The molecular weight of 2,2-Dimethyl-1,3-dithiane-1-oxide is 164.03 g/mol.
Where can I buy 2,2-Dimethyl-1,3-dithiane-1-oxide?
You can request a quote for 2,2-Dimethyl-1,3-dithiane-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-dithiane-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-dithiane-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.