![1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene structure](/static/products/5484/54840-61-8.webp)
1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene
TL;DR: 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene (CAS 54840-61-8) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene
Also Known As: 1-methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene, 1-[(4-methylphenyl)(sulfinyl)methyl]-4-nitrobenzene, AB-131/42302834, Methanethione, (4-methylphenyl)(4-nitrophenyl)-, S-oxide, (E)-, 1-Methyl-4-[(4-nitrophenyl)(oxo-lambda~4~-sulfanylidene)methyl]benzene
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.68502 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 656.09534 |
Chemical Identifiers
| CAS Number | 54840-61-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene (CAS 54840-61-8), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 1-methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene.
Chemical Property Profile of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene
Property Insights of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene
The XLogP value of 2.68502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene. Following Lipinski's Rule of Five, 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]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)-sulfinylmethyl]benzene?
The CAS number of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene is 54840-61-8.
What is the molecular formula of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene?
The molecular formula of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene is C14H11NO3S.
What is the molecular weight of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene?
The molecular weight of 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene is 273.05 g/mol.
Where can I buy 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene?
You can request a quote for 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]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)-sulfinylmethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[(4-nitrophenyl)-sulfinylmethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.