![3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one structure](/static/products/891/891456-27-2.png)
3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one
TL;DR: 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one (CAS 891456-27-2) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one
Also Known As: 5-[(4-methylphenylthio)methyl]pyrazol-3-ol, 5-[(p-tolylthio)methyl]-2-pyrazolin-3-one, 5-p-Tolylsulfanylmethyl-2,4-dihydro-pyrazol-3-one, 3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one, 3-[[(4-methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.30372 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 483.78906 |
Chemical Identifiers
| CAS Number | 891456-27-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=O)NN2 |
Product Overview
3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one (CAS 891456-27-2), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 5-[(4-methylphenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one
Property Insights of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one
The XLogP value of 2.30372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one. With a topological polar surface area (TPSA) of 48.65 Ų, 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one has 2 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-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one?
The CAS number of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one is 891456-27-2.
What is the molecular formula of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one?
The molecular formula of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one is C11H12N2OS.
What is the molecular weight of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one?
The molecular weight of 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one is 220.07 g/mol.
Where can I buy 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one?
You can request a quote for 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.