1-Methylsulfanyl-4-(2-nitroethenyl)benzene
TL;DR: 1-Methylsulfanyl-4-(2-nitroethenyl)benzene (CAS 710-27-0) 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-(2-nitroethenyl)benzene
Also Known As: Maybridge1_007361, 1-(4-methylthiophenyl)-2-nitroethene, 1-methylsulfanyl-4-(2-nitroethenyl)benzene, 1-(METHYLSULFANYL)-4-(2-NITROETHENYL)BENZENE
| 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 | 710-27-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C=C[N+](=O)[O-] |
Product Overview
1-Methylsulfanyl-4-(2-nitroethenyl)benzene (CAS 710-27-0), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 1-methylsulfanyl-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene
Property Insights of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene
The XLogP value of 2.6559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylsulfanyl-4-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Methylsulfanyl-4-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylsulfanyl-4-(2-nitroethenyl)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-Methylsulfanyl-4-(2-nitroethenyl)benzene?
The CAS number of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene is 710-27-0.
What is the molecular formula of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene?
The molecular formula of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene is C9H9NO2S.
What is the molecular weight of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene?
The molecular weight of 1-Methylsulfanyl-4-(2-nitroethenyl)benzene is 195.04 g/mol.
Where can I buy 1-Methylsulfanyl-4-(2-nitroethenyl)benzene?
You can request a quote for 1-Methylsulfanyl-4-(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfanyl-4-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfanyl-4-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.