RefChem:186588
TL;DR: RefChem:186588 (CAS 68784-93-0) is a chemical compound with molecular formula C13H23ClS3 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-(2,2-dimethylpropyl)-5-methylsulfanyldithiol-1-ium chloride
Also Known As: [5-tert-butyl-4-(2,2-dimethylpropyl)-3h-1,2-dithiol-3-ylidene](methyl)sulfonium chloride|(5-tert-Butyl-4-neopentyl-3H-1,2-dithiol-3-ylidene)methylsulphonium chloride|Sulfonium, (5-(1,1-dimethylethyl)-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene)methyl-, chloride|Sulfonium, (5-(1,1-dimethylethyl)-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene)methyl-, chloride (1:1)|Sulfonium, [5-(1,1-dimethylethyl)-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene]methyl-, chloride|(5-tert-butyl-4-neopentyl-3H-1,2-dithiol-3-ylidene]methylsulphonium chloride|[5-tert-Butyl-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfanium chloride|[5-tert-butyl-4-(2,2-dimethylpropyl)dithiol-3-ylidene]-methylsulfanium chloride|[4-(2,2-Dimethylpropyl)-5-(2-methyl-2-propanyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium chloride|Sulfonium, [5-(1,1-dimethylethyl)-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene]methyl-, chloride (1:1)|EINECS 272-284-6|RefChem:186588|PZAXPDVHHXBKOS-UHFFFAOYSA-M
| Molecular Formula | C13H23ClS3 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.06503 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 68784-93-0 |
|---|---|
| SMILES | CC(C)(C)CC1=C(S[S+]=C1SC)C(C)(C)C.[Cl-] |
| InChIKey | PZAXPDVHHXBKOS-UHFFFAOYSA-M |
Product Overview
RefChem:186588 (CAS 68784-93-0), with molecular formula C13H23ClS3 and molecular weight 310.07 g/mol. IUPAC: 3-tert-butyl-4-(2,2-dimethylpropyl)-5-methylsulfanyldithiol-1-ium chloride.
Chemical Property Profile of RefChem:186588
Property Insights of RefChem:186588
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:186588. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:186588. Following Lipinski's Rule of Five, RefChem:186588 has 0 hydrogen bond donor(s) and 3 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 RefChem:186588?
The CAS number of RefChem:186588 is 68784-93-0.
What is the molecular formula of RefChem:186588?
The molecular formula of RefChem:186588 is C13H23ClS3.
What is the molecular weight of RefChem:186588?
The molecular weight of RefChem:186588 is 310.07 g/mol.
Where can I buy RefChem:186588?
You can request a quote for RefChem:186588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:186588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:186588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.