![3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole structure](/static/products/922/92289-98-0.png)
3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
TL;DR: 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole (CAS 92289-98-0) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazole
Also Known As: 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole, 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole, 3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazole, 3,5-dimethyl-4-(o-nitrophenylthio)pyrazole, 3,5-Dimethyl-4-(2-nitro-phenyl-mercapto)-pyrazol
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.08594 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 546.09424 |
Chemical Identifiers
| CAS Number | 92289-98-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)SC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole (CAS 92289-98-0), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
Property Insights of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
The XLogP value of 3.08594 indicates that 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole 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 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole?
The CAS number of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole is 92289-98-0.
What is the molecular formula of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole is C11H11N3O2S.
What is the molecular weight of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole is 249.06 g/mol.
Where can I buy 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.