5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
TL;DR: 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane (CAS 42576-20-5) is a chemical compound with molecular formula C6H11ClOS and molecular weight 166.02191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-2,2-dimethyl-1,3-oxathiolane
Also Known As: 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane, 5-(chloromethyl)-2,2-dimethyl-oxathiolane, 4-19-00-00071 (Beilstein Handbook Reference), 5-Chloromethyl-2,2-dimethyl-1,3-oxathiolane, 1,3-OXATHIOLANE, 5-(CHLOROMETHYL)-2,2-DIMETHYL-
Technical Specifications
| Molecular Formula | C6H11ClOS |
| Molecular Weight | 166.02191 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02191 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | CC1(OC(CS1)CCl)C |
| InChIKey | AOCXFMADTQAYDD-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
Property Insights of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane. With a topological polar surface area (TPSA) of 34.5 Ų, 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane 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
What is the CAS number of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane?
The CAS number of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane is 42576-20-5.
What is the molecular formula of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane?
The molecular formula of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane is C6H11ClOS.
What is the molecular weight of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane?
The molecular weight of 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane is 166.02191 g/mol.
Where can I buy 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane?
You can request a quote for 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane?
Yes, CoreyChem provides custom synthesis services for 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.