2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- (CAS 127183-40-8) is a chemical compound with molecular formula C8H7F3NO2S- and molecular weight 238.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-[(1-oxido-2H-pyridin-6-yl)sulfanyl]propan-2-one
Also Known As: 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-, 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, N-oxide, 6-[(3,3,3-trifluoro-2-oxopropyl)sulfanyl]pyridin-1(2H)-olate, 1,1,1-trifluoro-3-[(1-oxido-2H-pyridin-6-yl)sulfanyl]propan-2-one, 1,1,1-trifluoro-3-[(1-oxido-6H-pyridin-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C8H7F3NO2S- |
|---|---|
| Molecular Weight | 238.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.01495 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 127183-40-8 |
|---|---|
| SMILES | C1C=CC=C(N1[O-])SCC(=O)C(F)(F)F |
| InChIKey | OCRQCJALAHHATN-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- (CAS 127183-40-8), with molecular formula C8H7F3NO2S- and molecular weight 238.01 g/mol. IUPAC: 1,1,1-trifluoro-3-[(1-oxido-2H-pyridin-6-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- has 0 hydrogen bond donor(s) and 7 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-((1-oxido-2-pyridinyl)thio)-?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- is 127183-40-8.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- is C8H7F3NO2S-.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- is 238.01 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)-?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- 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-((1-oxido-2-pyridinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-((1-oxido-2-pyridinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.