3-methyl-N-phenylpyrazole-1-carbothioamide
TL;DR: 3-methyl-N-phenylpyrazole-1-carbothioamide (CAS 69436-27-7) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-phenylpyrazole-1-carbothioamide
Also Known As: TimTec1_001862, 3-methyl-N-phenylpyrazole-1-carbothioamide, (3-methylpyrazolyl)(phenylamino)methane-1-thione, 3-methyl-N-phenyl-1H-pyrazole-1-carbothioamide, 1H-Pyrazole-1-carbothioamide, 3-methyl-N-phenyl-
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 69436-27-7 |
|---|---|
| SMILES | CC1=NN(C=C1)C(=S)NC2=CC=CC=C2 |
| InChIKey | PFSVMBJGYWTABG-UHFFFAOYSA-N |
Product Overview
3-methyl-N-phenylpyrazole-1-carbothioamide (CAS 69436-27-7), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 3-methyl-N-phenylpyrazole-1-carbothioamide.
Chemical Property Profile of 3-methyl-N-phenylpyrazole-1-carbothioamide
Property Insights of 3-methyl-N-phenylpyrazole-1-carbothioamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-phenylpyrazole-1-carbothioamide. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-phenylpyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-methyl-N-phenylpyrazole-1-carbothioamide has 1 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 3-methyl-N-phenylpyrazole-1-carbothioamide?
The CAS number of 3-methyl-N-phenylpyrazole-1-carbothioamide is 69436-27-7.
What is the molecular formula of 3-methyl-N-phenylpyrazole-1-carbothioamide?
The molecular formula of 3-methyl-N-phenylpyrazole-1-carbothioamide is C11H11N3S.
What is the molecular weight of 3-methyl-N-phenylpyrazole-1-carbothioamide?
The molecular weight of 3-methyl-N-phenylpyrazole-1-carbothioamide is 217.07 g/mol.
Where can I buy 3-methyl-N-phenylpyrazole-1-carbothioamide?
You can request a quote for 3-methyl-N-phenylpyrazole-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-N-phenylpyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-phenylpyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.