![1-Methyl-3-[(4-nitrophenyl)thio]benzene structure](/static/products/765/76590-34-6.png)
1-Methyl-3-[(4-nitrophenyl)thio]benzene
TL;DR: 1-Methyl-3-[(4-nitrophenyl)thio]benzene (CAS 76590-34-6) 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-methyl-3-(4-nitrophenyl)sulfanylbenzene
Also Known As: 4-nitrophenyl m-tolyl sulfide, 1-methyl-3-[(4-nitrophenyl)thio]benzene, 1-methyl-3-(4-nitrophenyl)sulfanylbenzene, 1-methyl-3-(4-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 | 537.37067 |
Chemical Identifiers
| CAS Number | 76590-34-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Methyl-3-[(4-nitrophenyl)thio]benzene (CAS 76590-34-6), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 1-methyl-3-(4-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of 1-Methyl-3-[(4-nitrophenyl)thio]benzene
Property Insights of 1-Methyl-3-[(4-nitrophenyl)thio]benzene
The XLogP value of 4.05442 indicates that 1-Methyl-3-[(4-nitrophenyl)thio]benzene 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-Methyl-3-[(4-nitrophenyl)thio]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-[(4-nitrophenyl)thio]benzene 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-Methyl-3-[(4-nitrophenyl)thio]benzene?
The CAS number of 1-Methyl-3-[(4-nitrophenyl)thio]benzene is 76590-34-6.
What is the molecular formula of 1-Methyl-3-[(4-nitrophenyl)thio]benzene?
The molecular formula of 1-Methyl-3-[(4-nitrophenyl)thio]benzene is C13H11NO2S.
What is the molecular weight of 1-Methyl-3-[(4-nitrophenyl)thio]benzene?
The molecular weight of 1-Methyl-3-[(4-nitrophenyl)thio]benzene is 245.05 g/mol.
Where can I buy 1-Methyl-3-[(4-nitrophenyl)thio]benzene?
You can request a quote for 1-Methyl-3-[(4-nitrophenyl)thio]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-[(4-nitrophenyl)thio]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[(4-nitrophenyl)thio]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.