3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
TL;DR: 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole (CAS 385405-23-2) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1H-pyrazole
Also Known As: 2-(N-Ethyl-p-methoxyanilino)ethanol, 3,5-DIMETHYL-4-P-TOLYLSULFANYL-1H-PYRAZOLE, 3,5-dimethyl-4-(p-tolylthio)-1H-pyrazole, 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole, 3,5-Dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazole
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 385405-23-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(NN=C2C)C |
| InChIKey | RVMKFXZYJZRTGS-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole (CAS 385405-23-2), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1H-pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
Property Insights of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
The XLogP value of 3.4 indicates that 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-P-tolylsulfanyl-1H-pyrazole?
The CAS number of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole is 385405-23-2.
What is the molecular formula of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole is C12H14N2S.
What is the molecular weight of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole is 218.09 g/mol.
Where can I buy 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-P-tolylsulfanyl-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-P-tolylsulfanyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.