2-Methyl-2-phenyl-m-dithiane
TL;DR: 2-Methyl-2-phenyl-m-dithiane (CAS 6331-22-2) 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-methyl-2-phenyl-1,3-dithiane
Also Known As: 2-Methyl-2-phenyl-m-dithiane, 2-Methyl-2-phenyl-1,3-dithiane, 1,3-Dithiane, 2-methyl-2-phenyl-, m-DITHIANE, 2-METHYL-2-PHENYL-, Acetophenone trimethylene dithioketal
| 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 | 155.0 |
Chemical Identifiers
| CAS Number | 6331-22-2 |
|---|---|
| SMILES | CC1(SCCCS1)C2=CC=CC=C2 |
| InChIKey | CAVORIBXCDTNBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-phenyl-m-dithiane (CAS 6331-22-2), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 2-methyl-2-phenyl-1,3-dithiane.
Chemical Property Profile of 2-Methyl-2-phenyl-m-dithiane
Property Insights of 2-Methyl-2-phenyl-m-dithiane
The XLogP value of 3.5 indicates that 2-Methyl-2-phenyl-m-dithiane 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-Methyl-2-phenyl-m-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-phenyl-m-dithiane 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-Methyl-2-phenyl-m-dithiane?
The CAS number of 2-Methyl-2-phenyl-m-dithiane is 6331-22-2.
What is the molecular formula of 2-Methyl-2-phenyl-m-dithiane?
The molecular formula of 2-Methyl-2-phenyl-m-dithiane is C11H14S2.
What is the molecular weight of 2-Methyl-2-phenyl-m-dithiane?
The molecular weight of 2-Methyl-2-phenyl-m-dithiane is 210.05 g/mol.
Where can I buy 2-Methyl-2-phenyl-m-dithiane?
You can request a quote for 2-Methyl-2-phenyl-m-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-phenyl-m-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-phenyl-m-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.