5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
TL;DR: 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide (CAS 95444-18-1) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 5-methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide, 3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, AS-662/40210405, amino(3-methyl-5-phenyl(2-pyrazolinyl))methane-1-thione, (RS)-3-methyl-5-phenyl-4,5-dihydropyrazole-1-thiocarboxamide
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.0529 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 399.55386 |
Chemical Identifiers
| CAS Number | 95444-18-1 |
|---|---|
| SMILES | CC1=NN(C(C1)C2=CC=CC=C2)C(=S)N |
Product Overview
5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide (CAS 95444-18-1), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 5-methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
Property Insights of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
The XLogP value of 2.0529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide. With a topological polar surface area (TPSA) of 41.62 Ų, 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-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 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The CAS number of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide is 95444-18-1.
What is the molecular formula of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The molecular formula of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide is C11H13N3S.
What is the molecular weight of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The molecular weight of 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide is 219.08 g/mol.
Where can I buy 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide?
You can request a quote for 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-phenyl-3,4-dihydropyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.