3,3-二甲基-1,2-二硫杂环戊烷-4-酮
TL;DR: 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 (CAS 62738-29-8) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基-1,2-二硫杂环戊烷-4-酮
3,3-dimethyldithiolan-4-one
Also Known As: 3,3-dimethyldithiolan-4-one, 3,3-Dimethyl-1,2-dithiolan-4-one, 3,3-dimethyl-[1,2]dithiolan-4-one, 3,3-Dimethyl-1,2-dithiolane-4-one, 3,3'-dimethyl-4-oxo-1,2-dithiolane
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 62738-29-8 |
|---|---|
| SMILES | CC1(C(=O)CSS1)C |
| InChIKey | RGBBJHINMRCYLU-UHFFFAOYSA-N |
Product Overview
3,3-二甲基-1,2-二硫杂环戊烷-4-酮 (CAS 62738-29-8), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: 3,3-dimethyldithiolan-4-one.
Chemical Property Profile of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮
Property Insights of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基-1,2-二硫杂环戊烷-4-酮. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-二甲基-1,2-二硫杂环戊烷-4-酮. Following Lipinski's Rule of Five, 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 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 3,3-二甲基-1,2-二硫杂环戊烷-4-酮?
The CAS number of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 is 62738-29-8.
What is the molecular formula of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮?
The molecular formula of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 is C5H8OS2.
What is the molecular weight of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮?
The molecular weight of 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 is 148.00 g/mol.
Where can I buy 3,3-二甲基-1,2-二硫杂环戊烷-4-酮?
You can request a quote for 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基-1,2-二硫杂环戊烷-4-酮?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基-1,2-二硫杂环戊烷-4-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.