3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide
TL;DR: 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide (CAS 175203-73-3) is a chemical compound with molecular formula C11H11N3S2 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-phenylpyrazole-4-carbothioamide
Also Known As: Maybridge1_004795, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide, 3-methylsulfanyl-1-phenylpyrazole-4-carbothioamide, 1H-Pyrazole-4-carbothioamide, 3-(methylthio)-1-phenyl-, J2.185.523E
| Molecular Formula | C11H11N3S2 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 2.2284 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.03944 |
| Heavy Atoms | 16 |
| Complexity | 505.20316 |
Chemical Identifiers
| CAS Number | 175203-73-3 |
|---|---|
| SMILES | CSC1=NN(C=C1C(=S)N)C2=CC=CC=C2 |
Product Overview
3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide (CAS 175203-73-3), with molecular formula C11H11N3S2 and molecular weight 249.04 g/mol. IUPAC: 3-methylsulfanyl-1-phenylpyrazole-4-carbothioamide.
Chemical Property Profile of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide
Property Insights of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide
The XLogP value of 2.2284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide?
The CAS number of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide is 175203-73-3.
What is the molecular formula of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide?
The molecular formula of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide is C11H11N3S2.
What is the molecular weight of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide?
The molecular weight of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide is 249.04 g/mol.
Where can I buy 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide?
You can request a quote for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.