N-(2-mercaptoethyl)-3,5-dimethylpyrazole
TL;DR: N-(2-mercaptoethyl)-3,5-dimethylpyrazole (CAS 18182-48-4) is a chemical compound with molecular formula C7H12N2S and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)ethanethiol
Also Known As: 2-(3,5-dimethylpyrazol-1-yl)ethanethiol, 1-(2-mercaptoethyl)-3,5-dimethylpyrazole, N-(2-mercaptoethyl)-3,5-dimethylpyrazole, J1.988.709J, 1-(2-Mercaptoethyl)-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C7H12N2S |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 1.42974 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.07211 |
| Heavy Atoms | 10 |
| Complexity | 217.38072 |
Chemical Identifiers
| CAS Number | 18182-48-4 |
|---|---|
| SMILES | CC1=CC(=NN1CCS)C |
Product Overview
N-(2-mercaptoethyl)-3,5-dimethylpyrazole (CAS 18182-48-4), with molecular formula C7H12N2S and molecular weight 156.07 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)ethanethiol.
Chemical Property Profile of N-(2-mercaptoethyl)-3,5-dimethylpyrazole
Property Insights of N-(2-mercaptoethyl)-3,5-dimethylpyrazole
The XLogP value of 1.42974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-mercaptoethyl)-3,5-dimethylpyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, N-(2-mercaptoethyl)-3,5-dimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-mercaptoethyl)-3,5-dimethylpyrazole 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 N-(2-mercaptoethyl)-3,5-dimethylpyrazole?
The CAS number of N-(2-mercaptoethyl)-3,5-dimethylpyrazole is 18182-48-4.
What is the molecular formula of N-(2-mercaptoethyl)-3,5-dimethylpyrazole?
The molecular formula of N-(2-mercaptoethyl)-3,5-dimethylpyrazole is C7H12N2S.
What is the molecular weight of N-(2-mercaptoethyl)-3,5-dimethylpyrazole?
The molecular weight of N-(2-mercaptoethyl)-3,5-dimethylpyrazole is 156.07 g/mol.
Where can I buy N-(2-mercaptoethyl)-3,5-dimethylpyrazole?
You can request a quote for N-(2-mercaptoethyl)-3,5-dimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-mercaptoethyl)-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for N-(2-mercaptoethyl)-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.