![Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- structure](/static/products/810/81016-39-9.png)
Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-
TL;DR: Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- (CAS 81016-39-9) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylsulfanyl-2-nitroethenyl)aniline
Also Known As: N-[1-(methylsulfanyl)-2-nitrovinyl]aniline, 2-nitro-1-anilino-1-methylthioethene, N-(1-methylsulfanyl-2-nitroethenyl)aniline, Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-, N-[1-(methylthio)-2-nitroethenyl]benzenamine
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.5371 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 337.92502 |
Chemical Identifiers
| CAS Number | 81016-39-9 |
|---|---|
| SMILES | CSC(=C[N+](=O)[O-])NC1=CC=CC=C1 |
Product Overview
Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- (CAS 81016-39-9), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: N-(1-methylsulfanyl-2-nitroethenyl)aniline.
Chemical Property Profile of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-
Property Insights of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-
The XLogP value of 2.5371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-. With a topological polar surface area (TPSA) of 55.17 Ų, Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- has 1 hydrogen bond donor(s) and 4 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 Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-?
The CAS number of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- is 81016-39-9.
What is the molecular formula of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-?
The molecular formula of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- is C9H10N2O2S.
What is the molecular weight of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-?
The molecular weight of Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- is 210.05 g/mol.
Where can I buy Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-?
You can request a quote for Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-[1-(methylthio)-2-nitroethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-[1-(methylthio)-2-nitroethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.