2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- (CAS 127183-52-2) is a chemical compound with molecular formula C8H7F3O2S and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-(furan-2-ylmethylsulfanyl)propan-2-one
Also Known As: 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-, 1,1,1-trifluoro-3-(furan-2-ylmethylsulfanyl)propan-2-one, 1,1,1-trifluoro-3-(2-furylmethylsulfanyl)propan-2-one, 1,1,1-Trifluoro-3-{[(furan-2-yl)methyl]sulfanyl}propan-2-one
| Molecular Formula | C8H7F3O2S |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.01189 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 127183-52-2 |
|---|---|
| SMILES | C1=COC(=C1)CSCC(=O)C(F)(F)F |
| InChIKey | NFCDGEQZLCSTRF-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- (CAS 127183-52-2), with molecular formula C8H7F3O2S and molecular weight 224.01 g/mol. IUPAC: 1,1,1-trifluoro-3-(furan-2-ylmethylsulfanyl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-. With a topological polar surface area (TPSA) of 55.5 Ų, 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- has 0 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-furanylmethyl)thio)-?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- is 127183-52-2.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- is C8H7F3O2S.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- is 224.01 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)-?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)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-((2-furanylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-((2-furanylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.