![1-[(3-Methylphenyl)thio]-2-nitrobenzene structure](/static/products/929/92903-56-5.png)
1-[(3-Methylphenyl)thio]-2-nitrobenzene
TL;DR: 1-[(3-Methylphenyl)thio]-2-nitrobenzene (CAS 92903-56-5) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)sulfanyl-2-nitrobenzene
Also Known As: Vortioxetine Impurity 153, 2-nitrophenyl m-tolyl sulfide, 1-[(3-methylphenyl)thio]-2-nitrobenzene, 1-(3-methylphenyl)sulfanyl-2-nitrobenzene, 1-methyl-3-(2-nitrophenyl)sulfanyl-benzene
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 4.05442 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 554.62067 |
Chemical Identifiers
| CAS Number | 92903-56-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-[(3-Methylphenyl)thio]-2-nitrobenzene (CAS 92903-56-5), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 1-(3-methylphenyl)sulfanyl-2-nitrobenzene.
Chemical Property Profile of 1-[(3-Methylphenyl)thio]-2-nitrobenzene
Property Insights of 1-[(3-Methylphenyl)thio]-2-nitrobenzene
The XLogP value of 4.05442 indicates that 1-[(3-Methylphenyl)thio]-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-[(3-Methylphenyl)thio]-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Methylphenyl)thio]-2-nitrobenzene 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 1-[(3-Methylphenyl)thio]-2-nitrobenzene?
The CAS number of 1-[(3-Methylphenyl)thio]-2-nitrobenzene is 92903-56-5.
What is the molecular formula of 1-[(3-Methylphenyl)thio]-2-nitrobenzene?
The molecular formula of 1-[(3-Methylphenyl)thio]-2-nitrobenzene is C13H11NO2S.
What is the molecular weight of 1-[(3-Methylphenyl)thio]-2-nitrobenzene?
The molecular weight of 1-[(3-Methylphenyl)thio]-2-nitrobenzene is 245.05 g/mol.
Where can I buy 1-[(3-Methylphenyl)thio]-2-nitrobenzene?
You can request a quote for 1-[(3-Methylphenyl)thio]-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Methylphenyl)thio]-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Methylphenyl)thio]-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.