2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene
TL;DR: 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene (CAS 35717-49-8) is a chemical compound with molecular formula C15H13NO2S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene
Also Known As: 2-methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene, Benzene,2-(methylthio)-1-nitro-4-(2-phenylethenyl)-
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 35717-49-8 |
|---|---|
| SMILES | CSC1=C(C=CC(=C1)C=CC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | HEXLNVDKIYMFFY-UHFFFAOYSA-N |
Product Overview
2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene (CAS 35717-49-8), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 2-methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene.
Chemical Property Profile of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene
Property Insights of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene
The XLogP value of 4.5 indicates that 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene. Following Lipinski's Rule of Five, 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)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 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene?
The CAS number of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene is 35717-49-8.
What is the molecular formula of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene?
The molecular formula of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene is C15H13NO2S.
What is the molecular weight of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene?
The molecular weight of 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene is 271.07 g/mol.
Where can I buy 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene?
You can request a quote for 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-1-nitro-4-(2-phenylethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.