![2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline structure](/static/products/6758/675819-27-9.webp)
2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline
TL;DR: 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline (CAS 675819-27-9) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylaniline
Also Known As: 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline, 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylaniline, 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylaniline, Benzenamine, 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)thio]-
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.37012 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 609.0858 |
Chemical Identifiers
| CAS Number | 675819-27-9 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=CC=C2N)C |
Product Overview
2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline (CAS 675819-27-9), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylaniline.
Chemical Property Profile of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline
Property Insights of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline
The XLogP value of 2.37012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline has 1 hydrogen bond donor(s) and 5 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-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline?
The CAS number of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline is 675819-27-9.
What is the molecular formula of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline?
The molecular formula of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline is C11H12N4O2S.
What is the molecular weight of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline?
The molecular weight of 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline is 264.07 g/mol.
Where can I buy 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline?
You can request a quote for 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.