![2-[4-(Dimethylamino)phenyl]-1,3-dithiane structure](/static/products/2458/24588-75-8.webp)
2-[4-(Dimethylamino)phenyl]-1,3-dithiane
TL;DR: 2-[4-(Dimethylamino)phenyl]-1,3-dithiane (CAS 24588-75-8) is a chemical compound with molecular formula C12H17NS2 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dithian-2-yl)-N,N-dimethylaniline
Also Known As: 2-[4-(Dimethylamino)phenyl]-1,3-dithiane, 4-(1,3-Dithian-2-yl)-N,N-dimethylaniline, Aniline, p-(m-dithian-2-yl)-N,N-dimethyl-, (4-[1,3]dithian-2-ylphenyl)dimethylamine, 2-[4-(Dimethylamino)phenyl]-1,3-dithian
| Molecular Formula | C12H17NS2 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.08025 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 24588-75-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2SCCCS2 |
| InChIKey | JPDSDZXASFIXGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[4-(Dimethylamino)phenyl]-1,3-dithiane (CAS 24588-75-8), with molecular formula C12H17NS2 and molecular weight 239.08 g/mol. IUPAC: 4-(1,3-dithian-2-yl)-N,N-dimethylaniline.
Chemical Property Profile of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane
Property Insights of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane
The XLogP value of 3.4 indicates that 2-[4-(Dimethylamino)phenyl]-1,3-dithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 2-[4-(Dimethylamino)phenyl]-1,3-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Dimethylamino)phenyl]-1,3-dithiane 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 2-[4-(Dimethylamino)phenyl]-1,3-dithiane?
The CAS number of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane is 24588-75-8.
What is the molecular formula of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane?
The molecular formula of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane is C12H17NS2.
What is the molecular weight of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane?
The molecular weight of 2-[4-(Dimethylamino)phenyl]-1,3-dithiane is 239.08 g/mol.
Where can I buy 2-[4-(Dimethylamino)phenyl]-1,3-dithiane?
You can request a quote for 2-[4-(Dimethylamino)phenyl]-1,3-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Dimethylamino)phenyl]-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Dimethylamino)phenyl]-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.