2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid
TL;DR: 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid (CAS 1042725-25-6) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetic acid
Also Known As: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetic Acid, [(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid, [(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetic acid, 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aceticAcid
Technical Specifications
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.0463 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.0463 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | CC1=C(C(=NN1)C)SCC(=O)O |
| InChIKey | WZILZAHTMWGUJV-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid
Property Insights of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid?
The CAS number of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid is 1042725-25-6.
What is the molecular formula of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid?
The molecular formula of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid is C7H10N2O2S.
What is the molecular weight of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid?
The molecular weight of 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid is 186.0463 g/mol.
Where can I buy 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid?
You can request a quote for 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.