3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 27130-71-8) is a chemical compound with molecular formula C5H7N3OS and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
Also Known As: TimTec1_002882, 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-methyl-5-oxo-4H-pyrazole-1-carbothioamide, 4,5-dihydro-3-methyl-5-oxopyrazole-1-carbothioamide, 1-(aminothioxomethyl)-3-methyl-2-pyrazolin-5-one
| Molecular Formula | C5H7N3OS |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.03099 |
| Heavy Atoms | 10 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 27130-71-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C(=S)N |
| InChIKey | VWTYVHKMUKFWST-UHFFFAOYSA-N |
Product Overview
3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 27130-71-8), with molecular formula C5H7N3OS and molecular weight 157.03 g/mol. IUPAC: 3-methyl-5-oxo-4H-pyrazole-1-carbothioamide.
Chemical Property Profile of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-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-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 27130-71-8.
What is the molecular formula of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is C5H7N3OS.
What is the molecular weight of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 157.03 g/mol.
Where can I buy 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.