2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide
TL;DR: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide (CAS 175202-68-3) is a chemical compound with molecular formula C7H10BrN3S and molecular weight 246.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanethioamide
Also Known As: Maybridge4_002403, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide, 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanethioamide, 1H-Pyrazole-1-ethanethioamide, 4-bromo-3,5-dimethyl-, 2-(4-Bromo-3,5-dimethylpyrazol-1-yl)thioacetamide
| Molecular Formula | C7H10BrN3S |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 1.54854 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.97787 |
| Heavy Atoms | 12 |
| Complexity | 318.69653 |
Chemical Identifiers
| CAS Number | 175202-68-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=S)N)C)Br |
Product Overview
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide (CAS 175202-68-3), with molecular formula C7H10BrN3S and molecular weight 246.98 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanethioamide.
Chemical Property Profile of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide
Property Insights of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide
The XLogP value of 1.54854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide 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 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide?
The CAS number of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide is 175202-68-3.
What is the molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide?
The molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide is C7H10BrN3S.
What is the molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide?
The molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide is 246.98 g/mol.
Where can I buy 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide?
You can request a quote for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.