2-甲基-2-苯基-1,3-二硫戊环
TL;DR: 2-甲基-2-苯基-1,3-二硫戊环 (CAS 5769-02-8) is a chemical compound with molecular formula C10H12S2 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-苯基-1,3-二硫戊环
2-methyl-2-phenyl-1,3-dithiolane
Also Known As: 2-Methyl-2-phenyl-1,3-dithiolane, 1, 2-methyl-2-phenyl-, 2-Phenyl-2-methyl-1,3-dithiolane, NCOLUSQXCWLHEK-UHFFFAOYSA-, 1,3-DITHIOLANE, 2-METHYL-2-PHENYL-
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03804 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5769-02-8 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=CC=C2 |
| InChIKey | NCOLUSQXCWLHEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-苯基-1,3-二硫戊环 (CAS 5769-02-8), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: 2-methyl-2-phenyl-1,3-dithiolane.
Chemical Property Profile of 2-甲基-2-苯基-1,3-二硫戊环
Property Insights of 2-甲基-2-苯基-1,3-二硫戊环
The XLogP value of 3.1 indicates that 2-甲基-2-苯基-1,3-二硫戊环 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-苯基-1,3-二硫戊环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-2-苯基-1,3-二硫戊环 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-苯基-1,3-二硫戊环?
The CAS number of 2-甲基-2-苯基-1,3-二硫戊环 is 5769-02-8.
What is the molecular formula of 2-甲基-2-苯基-1,3-二硫戊环?
The molecular formula of 2-甲基-2-苯基-1,3-二硫戊环 is C10H12S2.
What is the molecular weight of 2-甲基-2-苯基-1,3-二硫戊环?
The molecular weight of 2-甲基-2-苯基-1,3-二硫戊环 is 196.04 g/mol.
Where can I buy 2-甲基-2-苯基-1,3-二硫戊环?
You can request a quote for 2-甲基-2-苯基-1,3-二硫戊环 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-苯基-1,3-二硫戊环?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-苯基-1,3-二硫戊环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.