sulfonium structure](/static/products/6906/690618-28-1.webp)
[4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium
TL;DR: [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium (CAS 690618-28-1) is a chemical compound with molecular formula C13H23S3+ and molecular weight 275.0962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-4-(2,2-dimethylpropyl)-5-methylsulfanyldithiol-1-ium
Also Known As: [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium|[4-(2,2-dimethylpropyl)-5-tert-butyl-dithiol-3-ylidene]-methyl-sulfanium|[5-tert-butyl-4-(2,2-dimethylpropyl)dithiol-3-ylidene]-methylsulfanium|[5-tert-Butyl-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfanium
Technical Specifications
| Molecular Formula | C13H23S3+ |
| Molecular Weight | 275.0962 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0962 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CC(C)(C)CC1=C(S[S+]=C1SC)C(C)(C)C |
| InChIKey | YNTAXPQEYPWASS-UHFFFAOYSA-N |
Chemical Property Profile of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium
Property Insights of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium
The XLogP value of 5.7 indicates that [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium 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 [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium. Following Lipinski's Rule of Five, [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium?
The CAS number of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium is 690618-28-1.
What is the molecular formula of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium?
The molecular formula of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium is C13H23S3+.
What is the molecular weight of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium?
The molecular weight of [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium is 275.0962 g/mol.
Where can I buy [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium?
You can request a quote for [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium?
Yes, CoreyChem provides custom synthesis services for [4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.