2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷
TL;DR: 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 (CAS 41159-08-4) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷
2-methyl-2-(4-methylphenyl)-1,3-dithiolane
Also Known As: 2-Methyl-2-(p-tolyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-METHYL-2-(p-TOLYL)-, 2-methyl-2-(4-methylphenyl)-1,3-dithiolane, 2-(4-Methylphenyl)-2-methyl-1,3-dithiolane, 2-methyl-2-(4-methylphenyl)-2-methyl-1,3-dithiolane
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 41159-08-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(SCCS2)C |
| InChIKey | NGKHBJGPSIJYFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 (CAS 41159-08-4), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 2-methyl-2-(4-methylphenyl)-1,3-dithiolane.
Chemical Property Profile of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷
Property Insights of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷
The XLogP value of 3.5 indicates that 2-甲基-2-(对甲苯基)-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-甲基-2-(对甲苯基)-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-甲基-2-(对甲苯基)-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-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷?
The CAS number of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 is 41159-08-4.
What is the molecular formula of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷?
The molecular formula of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 is C11H14S2.
What is the molecular weight of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷?
The molecular weight of 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 is 210.05 g/mol.
Where can I buy 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷?
You can request a quote for 2-甲基-2-(对甲苯基)-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-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-(对甲苯基)-1,3-二硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.