2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) (CAS 127183-54-4) is a chemical compound with molecular formula C8H7BrF3NOS and molecular weight 300.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-pyridin-2-ylsulfanylpropan-2-one;hydrobromide
Also Known As: 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1), 1,1,1-trifluoro-3-pyridin-2-ylsulfanyl-propan-2-one Hydrobromide, 1,1,1-trifluoro-3-pyridin-2-ylsulfanylpropan-2-one hydrobromide, 1,1,1-trifluoro-3-pyridin-2-ylsulfanylpropan-2-one,hydrobromide, 1,1,1-Trifluoro-3-[(pyridin-2-yl)sulfanyl]propan-2-one--hydrogen bromide (1/1)
| Molecular Formula | C8H7BrF3NOS |
|---|---|
| Molecular Weight | 300.94 g/mol |
| LogP | 2.883 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.9384 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 127183-54-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)SCC(=O)C(F)(F)F.Br |
| InChIKey | SYHJTTVECSYBOT-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) (CAS 127183-54-4), with molecular formula C8H7BrF3NOS and molecular weight 300.94 g/mol. IUPAC: 1,1,1-trifluoro-3-pyridin-2-ylsulfanylpropan-2-one;hydrobromide.
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)
The XLogP value of 2.883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1). With a topological polar surface area (TPSA) of 55.3 Ų, 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) 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-(2-pyridinylthio)-, hydrobromide (1:1)?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) is 127183-54-4.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) is C8H7BrF3NOS.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) is 300.94 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1)?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) 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-(2-pyridinylthio)-, hydrobromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-(2-pyridinylthio)-, hydrobromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.