![1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene structure](/static/products/4249/42497-84-7.webp)
1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene
TL;DR: 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene (CAS 42497-84-7) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene
Also Known As: 4-Methylbenzyl-4-nitrophenyl sulfide, 1-methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene, Benzene, 1-methyl-4-[[(4-nitrophenyl)thio]methyl]-
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 4.19552 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 534.7254 |
Chemical Identifiers
| CAS Number | 42497-84-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene (CAS 42497-84-7), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: 1-methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene.
Chemical Property Profile of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene
Property Insights of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene
The XLogP value of 4.19552 indicates that 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]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-4-[(4-nitrophenyl)sulfanylmethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]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-4-[(4-nitrophenyl)sulfanylmethyl]benzene?
The CAS number of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene is 42497-84-7.
What is the molecular formula of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene?
The molecular formula of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene is C14H13NO2S.
What is the molecular weight of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene?
The molecular weight of 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene is 259.07 g/mol.
Where can I buy 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene?
You can request a quote for 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]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-4-[(4-nitrophenyl)sulfanylmethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[(4-nitrophenyl)sulfanylmethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.