![2-[(Methylsulfanyl)methyl]-4-nitroaniline structure](/static/products/3477/34774-93-1.webp)
2-[(Methylsulfanyl)methyl]-4-nitroaniline
TL;DR: 2-[(Methylsulfanyl)methyl]-4-nitroaniline (CAS 34774-93-1) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylsulfanylmethyl)-4-nitroaniline
Also Known As: 2-(methylsulfanylmethyl)-4-nitroaniline, 4-nitro-2-methylmercaptomethylaniline, 4 -nitro-2-methylmercaptomethylaniline, 2-[(Methylsulfanyl)methyl]-4-nitroaniline, 2-(Methylsulfanylmethyl)-4-nitro-aniline
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 34774-93-1 |
|---|---|
| SMILES | CSCC1=C(C=CC(=C1)[N+](=O)[O-])N |
| InChIKey | HCRSXTSGSLECNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(Methylsulfanyl)methyl]-4-nitroaniline (CAS 34774-93-1), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: 2-(methylsulfanylmethyl)-4-nitroaniline.
Chemical Property Profile of 2-[(Methylsulfanyl)methyl]-4-nitroaniline
Property Insights of 2-[(Methylsulfanyl)methyl]-4-nitroaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Methylsulfanyl)methyl]-4-nitroaniline. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Methylsulfanyl)methyl]-4-nitroaniline. Following Lipinski's Rule of Five, 2-[(Methylsulfanyl)methyl]-4-nitroaniline 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 2-[(Methylsulfanyl)methyl]-4-nitroaniline?
The CAS number of 2-[(Methylsulfanyl)methyl]-4-nitroaniline is 34774-93-1.
What is the molecular formula of 2-[(Methylsulfanyl)methyl]-4-nitroaniline?
The molecular formula of 2-[(Methylsulfanyl)methyl]-4-nitroaniline is C8H10N2O2S.
What is the molecular weight of 2-[(Methylsulfanyl)methyl]-4-nitroaniline?
The molecular weight of 2-[(Methylsulfanyl)methyl]-4-nitroaniline is 198.05 g/mol.
Where can I buy 2-[(Methylsulfanyl)methyl]-4-nitroaniline?
You can request a quote for 2-[(Methylsulfanyl)methyl]-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Methylsulfanyl)methyl]-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Methylsulfanyl)methyl]-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.