2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- (CAS 127183-50-0) is a chemical compound with molecular formula C6H5F3N2OS and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-(1H-imidazol-2-ylsulfanyl)propan-2-one
Also Known As: 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-, 1,1,1-trifluoro-3-(1H-imidazol-2-ylsulfanyl)propan-2-one, 1,1,1-Trifluoro-3-[(1H-imidazol-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C6H5F3N2OS |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.00746 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 127183-50-0 |
|---|---|
| SMILES | C1=CN=C(N1)SCC(=O)C(F)(F)F |
| InChIKey | OSPMUKPWQKTVSU-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- (CAS 127183-50-0), with molecular formula C6H5F3N2OS and molecular weight 210.01 g/mol. IUPAC: 1,1,1-trifluoro-3-(1H-imidazol-2-ylsulfanyl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- has 1 hydrogen bond donor(s) and 6 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-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- is 127183-50-0.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- is C6H5F3N2OS.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- is 210.01 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-(1H-imidazol-2-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.