3-Amino-5-(methylthio)pyrazole-4-carbonitrile
TL;DR: 3-Amino-5-(methylthio)pyrazole-4-carbonitrile (CAS 73500-89-7) is a chemical compound with molecular formula C5H6N4S and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
Also Known As: 3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile, 3-Amino-4-cyano-5-methylthiopyrazole, 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE, Potassium chlorate =99%, 5-Amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
| Molecular Formula | C5H6N4S |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.03131 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 73500-89-7 |
|---|---|
| SMILES | CSC1=NNC(=C1C#N)N |
| InChIKey | IUVUVQGOSHLPJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5-(methylthio)pyrazole-4-carbonitrile (CAS 73500-89-7), with molecular formula C5H6N4S and molecular weight 154.03 g/mol. IUPAC: 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile
Property Insights of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-(methylthio)pyrazole-4-carbonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-(methylthio)pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-(methylthio)pyrazole-4-carbonitrile has 2 hydrogen bond donor(s) and 4 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-Amino-5-(methylthio)pyrazole-4-carbonitrile?
The CAS number of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile is 73500-89-7.
What is the molecular formula of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile?
The molecular formula of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile is C5H6N4S.
What is the molecular weight of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile?
The molecular weight of 3-Amino-5-(methylthio)pyrazole-4-carbonitrile is 154.03 g/mol.
Where can I buy 3-Amino-5-(methylthio)pyrazole-4-carbonitrile?
You can request a quote for 3-Amino-5-(methylthio)pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-(methylthio)pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-(methylthio)pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.