![[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid structure](/static/products/4360/436088-31-2.webp)
[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
TL;DR: [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid (CAS 436088-31-2) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid
Also Known As: [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid|2-((2-(3-methyl-1H-pyrazol-1-yl)ethyl)thio)acetic acid|2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid|[2- -ETHYLSULFANYL]-ACETICACID|BAS 01184340|2-[2-(3-methylpyrazolyl)ethylthio]acetic acid|[2-(3-METHYL-PYRAZOL-1-YL)-ETHYLSULFANYL]-ACETICACID|[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid|{[2-(3-Methyl-1H-pyrazol-1-yl)ethyl]sulfanyl}acetic acid|{[2-(3-methylpyrazol-1-yl)ethyl]sulfanyl}acetic acid|1-(3-chlorophenyl)-1H-1,2,4-triazole-3-carboxylic?acid|MLS000068279|SMR000010160
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 436088-31-2 |
|---|---|
| SMILES | CC1=NN(C=C1)CCSCC(=O)O |
| InChIKey | LJRBYTNIWDEEOD-UHFFFAOYSA-N |
Product Overview
[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid (CAS 436088-31-2), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid.
Chemical Property Profile of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
Property Insights of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [2-(3-Methyl-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-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid?
The CAS number of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid is 436088-31-2.
What is the molecular formula of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid?
The molecular formula of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid is C8H12N2O2S.
What is the molecular weight of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid?
The molecular weight of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid is 200.06 g/mol.
Where can I buy [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid?
You can request a quote for [2-(3-Methyl-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-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.