3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
TL;DR: 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide (CAS 46298-98-0) is a chemical compound with molecular formula C10H8ClS3+ and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-methylsulfanyldithiol-1-ium
Also Known As: 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide, 3-(4-chlorophenyl)-5-methylsulfanyl-dithiol-1-ium, [5-(4-chlorophenyl)dithiol-3-ylidene]-methylsulfanium, 3-(4-Chlorophenyl)-5-(methylthio)-1,2-dithiol-1-ium, 1,2-Dithiol-1-ium, 3-(4-chlorophenyl)-5-(methylthio)-
| Molecular Formula | C10H8ClS3+ |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 5.133 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.94766 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 46298-98-0 |
|---|---|
| SMILES | CSC1=[S+]SC(=C1)C2=CC=C(C=C2)Cl |
| InChIKey | DGYVRGHHMNGXKB-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide (CAS 46298-98-0), with molecular formula C10H8ClS3+ and molecular weight 258.95 g/mol. IUPAC: 3-(4-chlorophenyl)-5-methylsulfanyldithiol-1-ium.
Chemical Property Profile of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
Property Insights of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
The XLogP value of 5.133 indicates that 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide?
The CAS number of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide is 46298-98-0.
What is the molecular formula of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide?
The molecular formula of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide is C10H8ClS3+.
What is the molecular weight of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide?
The molecular weight of 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide is 258.95 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide?
You can request a quote for 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.