![4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione structure](/static/products/6964/6964-71-2.webp)
4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione
TL;DR: 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione (CAS 6964-71-2) is a chemical compound with molecular formula C10H9ClOS3 and molecular weight 275.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenoxy)methyl]-1,3-dithiolane-2-thione
Also Known As: 4-[(4-chlorophenoxy)methyl]-1,3-dithiolane-2-thione, 4-((4-Chlorophenoxy)methyl)-1,3-dithiolane-2-thione, 1,3-Dithiolane-2-thione,4-[(4-chlorophenoxy)methyl]-
| Molecular Formula | C10H9ClOS3 |
|---|---|
| Molecular Weight | 275.95 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.9504 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6964-71-2 |
|---|---|
| SMILES | C1C(SC(=S)S1)COC2=CC=C(C=C2)Cl |
| InChIKey | FDLRYHXQWUMPEZ-UHFFFAOYSA-N |
Product Overview
4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione (CAS 6964-71-2), with molecular formula C10H9ClOS3 and molecular weight 275.95 g/mol. IUPAC: 4-[(4-chlorophenoxy)methyl]-1,3-dithiolane-2-thione.
Chemical Property Profile of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione
Property Insights of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione
The XLogP value of 4.3 indicates that 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione. Following Lipinski's Rule of Five, 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione has 0 hydrogen bond donor(s) and 4 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 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione?
The CAS number of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione is 6964-71-2.
What is the molecular formula of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione?
The molecular formula of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione is C10H9ClOS3.
What is the molecular weight of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione?
The molecular weight of 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione is 275.95 g/mol.
Where can I buy 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione?
You can request a quote for 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chlorophenoxy)methyl]-1,3-dithiolane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.