1-(4-Methylthiophenyl)-2-nitroethene
TL;DR: 1-(4-Methylthiophenyl)-2-nitroethene (CAS 798557-40-1) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-[(E)-2-nitroethenyl]benzene
Also Known As: Cyto9G5, Maybridge1_007361, beta-Nitro-4-(methylthio)styrene, 4-METHYLTHIO-BETA-NITROSTYRENE, 1-(4-methylthiophenyl)-2-nitroethene
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.6559 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 318.8915 |
Chemical Identifiers
| CAS Number | 798557-40-1 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
Product Overview
1-(4-Methylthiophenyl)-2-nitroethene (CAS 798557-40-1), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 1-methylsulfanyl-4-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 1-(4-Methylthiophenyl)-2-nitroethene
Property Insights of 1-(4-Methylthiophenyl)-2-nitroethene
The XLogP value of 2.6559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylthiophenyl)-2-nitroethene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(4-Methylthiophenyl)-2-nitroethene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylthiophenyl)-2-nitroethene 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-(4-Methylthiophenyl)-2-nitroethene?
The CAS number of 1-(4-Methylthiophenyl)-2-nitroethene is 798557-40-1.
What is the molecular formula of 1-(4-Methylthiophenyl)-2-nitroethene?
The molecular formula of 1-(4-Methylthiophenyl)-2-nitroethene is C9H9NO2S.
What is the molecular weight of 1-(4-Methylthiophenyl)-2-nitroethene?
The molecular weight of 1-(4-Methylthiophenyl)-2-nitroethene is 195.04 g/mol.
Where can I buy 1-(4-Methylthiophenyl)-2-nitroethene?
You can request a quote for 1-(4-Methylthiophenyl)-2-nitroethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylthiophenyl)-2-nitroethene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylthiophenyl)-2-nitroethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.