Methyl-(5-phenyldithiol-3-ylidene)sulfanium
TL;DR: Methyl-(5-phenyldithiol-3-ylidene)sulfanium (CAS 48134-50-5) is a chemical compound with molecular formula C10H9S3+ and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-phenyldithiol-2-ium
Also Known As: Methyl-(5-phenyldithiol-3-ylidene)sulfanium, 1-Methylamino-2,2,6,6-tetramethylpiperidine, J2.159.011H, 1,2-Dithiol-1-ium, 3-(methylthio)-5-phenyl-, 3-(Methylthio)-5-phenyl-3H-1,2-dithiol-3-ylium
| Molecular Formula | C10H9S3+ |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 4.4796 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.98663 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 48134-50-5 |
|---|---|
| SMILES | CSC1=[S+]SC(=C1)C2=CC=CC=C2 |
| InChIKey | WPVQVGCDVIUSGM-UHFFFAOYSA-N |
Product Overview
Methyl-(5-phenyldithiol-3-ylidene)sulfanium (CAS 48134-50-5), with molecular formula C10H9S3+ and molecular weight 224.99 g/mol. IUPAC: 3-methylsulfanyl-5-phenyldithiol-2-ium.
Chemical Property Profile of Methyl-(5-phenyldithiol-3-ylidene)sulfanium
Property Insights of Methyl-(5-phenyldithiol-3-ylidene)sulfanium
The XLogP value of 4.4796 indicates that Methyl-(5-phenyldithiol-3-ylidene)sulfanium 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 Methyl-(5-phenyldithiol-3-ylidene)sulfanium. Following Lipinski's Rule of Five, Methyl-(5-phenyldithiol-3-ylidene)sulfanium 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
Frequently Asked Questions
What is the CAS number of Methyl-(5-phenyldithiol-3-ylidene)sulfanium?
The CAS number of Methyl-(5-phenyldithiol-3-ylidene)sulfanium is 48134-50-5.
What is the molecular formula of Methyl-(5-phenyldithiol-3-ylidene)sulfanium?
The molecular formula of Methyl-(5-phenyldithiol-3-ylidene)sulfanium is C10H9S3+.
What is the molecular weight of Methyl-(5-phenyldithiol-3-ylidene)sulfanium?
The molecular weight of Methyl-(5-phenyldithiol-3-ylidene)sulfanium is 224.99 g/mol.
Where can I buy Methyl-(5-phenyldithiol-3-ylidene)sulfanium?
You can request a quote for Methyl-(5-phenyldithiol-3-ylidene)sulfanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-(5-phenyldithiol-3-ylidene)sulfanium?
Yes, KEHONG BIO provides custom synthesis services for Methyl-(5-phenyldithiol-3-ylidene)sulfanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.