1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene
TL;DR: 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene (CAS 713-78-0) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-(2-nitroprop-1-enyl)benzene
Also Known As: 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene, 1-methylsulfanyl-4-(2-nitroprop-1-enyl)benzene, 1-[4-(methylthio)phenyl]-2-nitro-1-propene, Benzene, 1-(methylthio)-4-(2-nitro-1-propenyl)-, 1-(METHYLSULFANYL)-4-(2-NITROPROP-1-EN-1-YL)BENZENE
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 3.046 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 356.88968 |
Chemical Identifiers
| CAS Number | 713-78-0 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)SC)[N+](=O)[O-] |
Product Overview
1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene (CAS 713-78-0), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 1-methylsulfanyl-4-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene
Property Insights of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene
The XLogP value of 3.046 indicates that 1-Methylsulfanyl-4-(2-nitro-propenyl)-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-Methylsulfanyl-4-(2-nitro-propenyl)-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylsulfanyl-4-(2-nitro-propenyl)-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-nitro-propenyl)-benzene?
The CAS number of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene is 713-78-0.
What is the molecular formula of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene?
The molecular formula of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene is C10H11NO2S.
What is the molecular weight of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene?
The molecular weight of 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene is 209.05 g/mol.
Where can I buy 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene?
You can request a quote for 1-Methylsulfanyl-4-(2-nitro-propenyl)-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-nitro-propenyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfanyl-4-(2-nitro-propenyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.