Pyrazole, 1-((trichloromethyl)thio)-
TL;DR: Pyrazole, 1-((trichloromethyl)thio)- (CAS 25726-97-0) is a chemical compound with molecular formula C4H3Cl3N2S and molecular weight 215.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trichloromethylsulfanyl)pyrazole
Also Known As: 1-(Trichloromethylmercapto) pyrazole, Pyrazole, 1-((trichloromethyl)thio)-, 1-(Trichloromethylmercapto)pyrazole, 1-[ thio]-1H-pyrazole, NCIOpen2_003094
| Molecular Formula | C4H3Cl3N2S |
|---|---|
| Molecular Weight | 215.91 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.90825 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 25726-97-0 |
|---|---|
| SMILES | C1=CN(N=C1)SC(Cl)(Cl)Cl |
| InChIKey | VDRPADALJJQJTN-UHFFFAOYSA-N |
Product Overview
Pyrazole, 1-((trichloromethyl)thio)- (CAS 25726-97-0), with molecular formula C4H3Cl3N2S and molecular weight 215.91 g/mol. IUPAC: 1-(trichloromethylsulfanyl)pyrazole.
Chemical Property Profile of Pyrazole, 1-((trichloromethyl)thio)-
Property Insights of Pyrazole, 1-((trichloromethyl)thio)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 1-((trichloromethyl)thio)-. With a topological polar surface area (TPSA) of 43.1 Ų, Pyrazole, 1-((trichloromethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 1-((trichloromethyl)thio)- has 0 hydrogen bond donor(s) and 2 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 Pyrazole, 1-((trichloromethyl)thio)-?
The CAS number of Pyrazole, 1-((trichloromethyl)thio)- is 25726-97-0.
What is the molecular formula of Pyrazole, 1-((trichloromethyl)thio)-?
The molecular formula of Pyrazole, 1-((trichloromethyl)thio)- is C4H3Cl3N2S.
What is the molecular weight of Pyrazole, 1-((trichloromethyl)thio)-?
The molecular weight of Pyrazole, 1-((trichloromethyl)thio)- is 215.91 g/mol.
Where can I buy Pyrazole, 1-((trichloromethyl)thio)-?
You can request a quote for Pyrazole, 1-((trichloromethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 1-((trichloromethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 1-((trichloromethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.