2-(4-Nitrophenyl)-1,3,5-trithiane
TL;DR: 2-(4-Nitrophenyl)-1,3,5-trithiane (CAS 34302-68-6) is a chemical compound with molecular formula C9H9NO2S3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1,3,5-trithiane
Also Known As: 2-(4-nitrophenyl)-1,3,5-trithiane, (4-nitro-phenyl)-[1,3,5]trithiane
| Molecular Formula | C9H9NO2S3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.97955 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 34302-68-6 |
|---|---|
| SMILES | C1SCSC(S1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DHEWAINONSXYGT-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenyl)-1,3,5-trithiane (CAS 34302-68-6), with molecular formula C9H9NO2S3 and molecular weight 258.98 g/mol. IUPAC: 2-(4-nitrophenyl)-1,3,5-trithiane.
Chemical Property Profile of 2-(4-Nitrophenyl)-1,3,5-trithiane
Property Insights of 2-(4-Nitrophenyl)-1,3,5-trithiane
The XLogP value of 3.6 indicates that 2-(4-Nitrophenyl)-1,3,5-trithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-1,3,5-trithiane. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-1,3,5-trithiane has 0 hydrogen bond donor(s) and 5 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-Nitrophenyl)-1,3,5-trithiane?
The CAS number of 2-(4-Nitrophenyl)-1,3,5-trithiane is 34302-68-6.
What is the molecular formula of 2-(4-Nitrophenyl)-1,3,5-trithiane?
The molecular formula of 2-(4-Nitrophenyl)-1,3,5-trithiane is C9H9NO2S3.
What is the molecular weight of 2-(4-Nitrophenyl)-1,3,5-trithiane?
The molecular weight of 2-(4-Nitrophenyl)-1,3,5-trithiane is 258.98 g/mol.
Where can I buy 2-(4-Nitrophenyl)-1,3,5-trithiane?
You can request a quote for 2-(4-Nitrophenyl)-1,3,5-trithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-1,3,5-trithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-1,3,5-trithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.