2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane
TL;DR: 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane (CAS 852218-13-4) is a chemical compound with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-nitrophenyl)-1,3-dithiolane
Also Known As: 2-(4-chloro-3-nitrophenyl)-1,3-dithiolane, 2-(4-chloro-3-nitro-phenyl)-1,3-dithiolane, 998-410-6, RefChem:457236
| Molecular Formula | C9H8ClNO2S2 |
|---|---|
| Molecular Weight | 260.97 g/mol |
| LogP | 3.7268 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9685 |
| Heavy Atoms | 15 |
| Complexity | 393.69876 |
Chemical Identifiers
| CAS Number | 852218-13-4 |
|---|---|
| SMILES | C1CSC(S1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane (CAS 852218-13-4), with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol. IUPAC: 2-(4-chloro-3-nitrophenyl)-1,3-dithiolane.
Chemical Property Profile of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane
Property Insights of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane
The XLogP value of 3.7268 indicates that 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane has 0 hydrogen bond donor(s) and 4 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-Chloro-3-nitrophenyl)-1,3-dithiolane?
The CAS number of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane is 852218-13-4.
What is the molecular formula of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane?
The molecular formula of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane is C9H8ClNO2S2.
What is the molecular weight of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane?
The molecular weight of 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane is 260.97 g/mol.
Where can I buy 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane?
You can request a quote for 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-3-nitrophenyl)-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.