2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷
TL;DR: 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 (CAS 99643-54-6) is a chemical compound with molecular formula C13H12S2 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷
2,2-dimethylbenzo[f][1,3]benzodithiole
Also Known As: 2,2-Dimethylnaphtho(2,3-d)-1,3-dithiole, 2,2-dimethylbenzo[f][1,3]benzodithiole, 2,2-Dimethylnaphtho[2,3-d]-1,3-dithiole, 2,2-Dimethyl-2H-naphtho[2,3-d][1,3]dithiole
| Molecular Formula | C13H12S2 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.03804 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 99643-54-6 |
|---|---|
| SMILES | CC1(SC2=CC3=CC=CC=C3C=C2S1)C |
| InChIKey | JYWBQDDSCYJAIA-UHFFFAOYSA-N |
Product Overview
2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 (CAS 99643-54-6), with molecular formula C13H12S2 and molecular weight 232.04 g/mol. IUPAC: 2,2-dimethylbenzo[f][1,3]benzodithiole.
Chemical Property Profile of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷
Property Insights of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷
The XLogP value of 4.7 indicates that 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 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 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷?
The CAS number of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 is 99643-54-6.
What is the molecular formula of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷?
The molecular formula of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 is C13H12S2.
What is the molecular weight of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷?
The molecular weight of 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 is 232.04 g/mol.
Where can I buy 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷?
You can request a quote for 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基萘(2,3-d)-1,3-二硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.