2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid
TL;DR: 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid (CAS 1004643-61-1) is a chemical compound with molecular formula C6H7ClN2O2S and molecular weight 205.99167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chloropyrazol-1-yl)methylsulfanyl]acetic acid
Also Known As: 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid, 2-[(4-chloropyrazol-1-yl)methylsulfanyl]acetic Acid, (4-Chloro-pyrazol-1-ylmethylsulfanyl)-acetic acid, {[(4-chloro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid, ([(4-Chloro-1H-pyrazol-1-yl)methyl]thio)acetic acid
Technical Specifications
| Molecular Formula | C6H7ClN2O2S |
| Molecular Weight | 205.99167 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.99167 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | C1=C(C=NN1CSCC(=O)O)Cl |
| InChIKey | WVPMBDYFHLUBJQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid
Property Insights of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)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
What is the CAS number of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
The CAS number of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid is 1004643-61-1.
What is the molecular formula of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
The molecular formula of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid is C6H7ClN2O2S.
What is the molecular weight of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
The molecular weight of 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid is 205.99167 g/mol.
Where can I buy 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
You can request a quote for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.