2-Propanone, 1,1,1-trifluoro-3-mercapto-
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-mercapto- (CAS 127183-53-3) is a chemical compound with molecular formula C3H3F3OS and molecular weight 143.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-sulfanylpropan-2-one
Also Known As: 1,1,1-trifluoro-3-sulfanylpropan-2-one, thiotrifluoropropanone, 1,1,1-trifluoro-3-mercaptopropan-2-one, 2-Propanone, 1,1,1-trifluoro-3-mercapto-, 1,1,1-tris(fluoranyl)propan-2-one
| Molecular Formula | C3H3F3OS |
|---|---|
| Molecular Weight | 143.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.98567 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 127183-53-3 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)S |
| InChIKey | RNKIHLWRZFZWKH-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1-trifluoro-3-mercapto- (CAS 127183-53-3), with molecular formula C3H3F3OS and molecular weight 143.99 g/mol. IUPAC: 1,1,1-trifluoro-3-sulfanylpropan-2-one.
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-mercapto-
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-mercapto-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1-trifluoro-3-mercapto-. With a topological polar surface area (TPSA) of 18.1 Ų, 2-Propanone, 1,1,1-trifluoro-3-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-mercapto- has 1 hydrogen bond donor(s) and 5 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-mercapto-?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-mercapto- is 127183-53-3.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-mercapto-?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-mercapto- is C3H3F3OS.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-mercapto-?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-mercapto- is 143.99 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-mercapto-?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-mercapto- 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-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.