![[(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid structure](/static/products/879/879565-31-8.png)
[(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid
TL;DR: [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid (CAS 879565-31-8) is a chemical compound with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
Also Known As: [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid|[(3-Methyl-4-nitro-1H-pyrazol-5-yl)thio]-acetic acid|2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetic acid|1489AF|BAS 00614330|2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)thio)acetic acid|2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid|(5-Methyl-4-nitro-2H-pyrazol-3-ylsulfanyl)-acetic acid|2-(3-methyl-4-nitropyrazol-5-ylthio)acetic acid|(5-Methyl-4-nitro-2 H -pyrazol-3-ylsulfanyl)-acetic acid|8-bromo-6-methyl-4-oxo-4H-chromene-3-carbaldehyde|acetic acid, [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]-|SR-01000503461-1|2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)thio)aceticacid|F0918-3633|[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetic acid|[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid|[(5-methyl-4-nitro-2H-pyrazol-3-yl)sulfanyl]acetic acid
| Molecular Formula | C6H7N3O4S |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 0.80302 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.01573 |
| Heavy Atoms | 14 |
| Complexity | 375.15356 |
Chemical Identifiers
| CAS Number | 879565-31-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)SCC(=O)O)[N+](=O)[O-] |
Product Overview
[(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid (CAS 879565-31-8), with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol. IUPAC: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid
Property Insights of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid
The XLogP value of 0.80302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid has 2 hydrogen bond donor(s) and 5 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 [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid?
The CAS number of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid is 879565-31-8.
What is the molecular formula of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid?
The molecular formula of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid is C6H7N3O4S.
What is the molecular weight of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid?
The molecular weight of [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid is 217.02 g/mol.
Where can I buy [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid?
You can request a quote for [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.