(2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid
TL;DR: (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid (CAS 247571-75-1) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-pyrazol-1-ylethylsulfanyl)acetic acid
Also Known As: 2-(2-pyrazolylethylthio)acetic acid, (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid, BAS 01184333, 2-(2-pyrazol-1-ylethylsulfanyl)acetic acid, 2-((2-(1H-Pyrazol-1-yl)ethyl)thio)acetic acid
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 247571-75-1 |
|---|---|
| SMILES | C1=CN(N=C1)CCSCC(=O)O |
| InChIKey | BNLUXNOOKDRUMU-UHFFFAOYSA-N |
Product Overview
(2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid (CAS 247571-75-1), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: 2-(2-pyrazol-1-ylethylsulfanyl)acetic acid.
Chemical Property Profile of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid
Property Insights of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid has 1 hydrogen bond donor(s) and 4 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-Pyrazol-1-yl-ethylsulfanyl)-acetic acid?
The CAS number of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid is 247571-75-1.
What is the molecular formula of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid?
The molecular formula of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid is C7H10N2O2S.
What is the molecular weight of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid?
The molecular weight of (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid is 186.05 g/mol.
Where can I buy (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid?
You can request a quote for (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.