1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
TL;DR: 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one (CAS 1119391-69-3) is a chemical compound with molecular formula C7H11N3OS and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-5-propan-2-yl-1H-pyrazole-2-carbothioamide
Also Known As: 1-(AMINOTHIOXOMETHYL)-3-(ISOPROPYL)-3-PYRAZOLIN-5-ONE, 3-oxo-5-propan-2-yl-1H-pyrazole-2-carbothioamide, 5-isopropyl-3-oxo-1H-pyrazole-2-carbothioamide, 5-oxo-3-propan-2-yl-2H-pyrazole-1-carbothioamide, 5-oxo-3-(propan-2-yl)-2,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C7H11N3OS |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 0.3915 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.06229 |
| Heavy Atoms | 12 |
| Complexity | 349.77863 |
Chemical Identifiers
| CAS Number | 1119391-69-3 |
|---|---|
| SMILES | CC(C)C1=CC(=O)N(N1)C(=S)N |
Product Overview
1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one (CAS 1119391-69-3), with molecular formula C7H11N3OS and molecular weight 185.06 g/mol. IUPAC: 3-oxo-5-propan-2-yl-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
Property Insights of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
The XLogP value of 0.3915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one. Following Lipinski's Rule of Five, 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-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 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The CAS number of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is 1119391-69-3.
What is the molecular formula of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The molecular formula of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is C7H11N3OS.
What is the molecular weight of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The molecular weight of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is 185.06 g/mol.
Where can I buy 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
You can request a quote for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.