1,3-Dithiolane, 2-(o-chlorophenyl)-
TL;DR: 1,3-Dithiolane, 2-(o-chlorophenyl)- (CAS 83521-68-0) is a chemical compound with molecular formula C9H9ClS2 and molecular weight 215.98341 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chlorophenyl)-1,3-dithiolane
Also Known As: 2-(o-Chlorophenyl)-1,3-dithiolane, 2-(2-chlorophenyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(o-CHLOROPHENYL)-, BRN 5515244
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClS2 |
| Molecular Weight | 215.98341 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.98341 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C1CSC(S1)C2=CC=CC=C2Cl |
| InChIKey | XRQMZWGXCMEAKW-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolane, 2-(o-chlorophenyl)-
Property Insights of 1,3-Dithiolane, 2-(o-chlorophenyl)-
The XLogP value of 3.6 indicates that 1,3-Dithiolane, 2-(o-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2-(o-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-(o-chlorophenyl)- 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 1,3-Dithiolane, 2-(o-chlorophenyl)-?
The CAS number of 1,3-Dithiolane, 2-(o-chlorophenyl)- is 83521-68-0.
What is the molecular formula of 1,3-Dithiolane, 2-(o-chlorophenyl)-?
The molecular formula of 1,3-Dithiolane, 2-(o-chlorophenyl)- is C9H9ClS2.
What is the molecular weight of 1,3-Dithiolane, 2-(o-chlorophenyl)-?
The molecular weight of 1,3-Dithiolane, 2-(o-chlorophenyl)- is 215.98341 g/mol.
Where can I buy 1,3-Dithiolane, 2-(o-chlorophenyl)-?
You can request a quote for 1,3-Dithiolane, 2-(o-chlorophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolane, 2-(o-chlorophenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolane, 2-(o-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.