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 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C6H7ClN2O2S |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 1.3118 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.99167 |
| Heavy Atoms | 12 |
| Complexity | 276.26672 |
Chemical Identifiers
| CAS Number | 1004643-61-1 |
|---|---|
| SMILES | C1=C(C=NN1CSCC(=O)O)Cl |
Product Overview
2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid (CAS 1004643-61-1), with molecular formula C6H7ClN2O2S and molecular weight 205.99 g/mol. IUPAC: 2-[(4-chloropyrazol-1-yl)methylsulfanyl]acetic acid.
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 1.3118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid has 1 hydrogen bond donor(s) and 3 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-(((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 205.99 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-Chloro-1H-pyrazol-1-yl)methyl)thio)acetic acid?
Yes, KEHONG BIO 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.