3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole
TL;DR: 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole (CAS 80967-20-0) is a chemical compound with molecular formula C10H9ClN2S and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole
Also Known As: Maybridge1_003831, 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole, 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole, 10M-517S, 3-(4-chlorophenyl)-1H-pyrazol-5-yl methyl sulfide
| Molecular Formula | C10H9ClN2S |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 3.452 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0175 |
| Heavy Atoms | 14 |
| Complexity | 421.942 |
Chemical Identifiers
| CAS Number | 80967-20-0 |
|---|---|
| SMILES | CSC1=NNC(=C1)C2=CC=C(C=C2)Cl |
Product Overview
3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole (CAS 80967-20-0), with molecular formula C10H9ClN2S and molecular weight 224.02 g/mol. IUPAC: 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole.
Chemical Property Profile of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole
Property Insights of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole
The XLogP value of 3.452 indicates that 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-5-(methylsulfanyl)-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-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole?
The CAS number of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole is 80967-20-0.
What is the molecular formula of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole?
The molecular formula of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole is C10H9ClN2S.
What is the molecular weight of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole?
The molecular weight of 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole is 224.02 g/mol.
Where can I buy 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole?
You can request a quote for 3-(4-chlorophenyl)-5-(methylsulfanyl)-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-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.