5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide
TL;DR: 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide (CAS 101309-66-4) is a chemical compound with molecular formula C11H10Cl2N4S and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide
Also Known As: BRD-K13259240-001-01-0, 1H-Pyrazole-4-carbothioamide,5-amino-1-(2-chlorophenyl)-3-methyl, 5-amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide, 5-amino-1-(2,5-dichlorophenyl)-3-methyl-1H-pyrazole-4-carbothioamide
| Molecular Formula | C11H10Cl2N4S |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 2.70392 |
| Topological Polar Surface Area | 69.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.00034 |
| Heavy Atoms | 18 |
| Complexity | 636.21375 |
Chemical Identifiers
| CAS Number | 101309-66-4 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=S)N)N)C2=C(C=CC(=C2)Cl)Cl |
Product Overview
5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide (CAS 101309-66-4), with molecular formula C11H10Cl2N4S and molecular weight 300.00 g/mol. IUPAC: 5-amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide.
Chemical Property Profile of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide
Property Insights of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide
The XLogP value of 2.70392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide. The TPSA of 69.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide. Following Lipinski's Rule of Five, 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide has 2 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 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide?
The CAS number of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide is 101309-66-4.
What is the molecular formula of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide?
The molecular formula of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide is C11H10Cl2N4S.
What is the molecular weight of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide?
The molecular weight of 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide is 300.00 g/mol.
Where can I buy 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide?
You can request a quote for 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.