3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one
TL;DR: 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one (CAS 6337-11-7) is a chemical compound with molecular formula C7H11F3OS2 and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one
Also Known As: MBTFP, 1,1,1-Trifluoro-3-((4-mercaptobutyl)thio)-2-propanone, 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one, 1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one, 1,1,1-trifluoro-3-[(4-sulfanylbutyl)sulfanyl]propan-2-one
| Molecular Formula | C7H11F3OS2 |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.02034 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6337-11-7 |
|---|---|
| SMILES | C(CCSCC(=O)C(F)(F)F)CS |
| InChIKey | CZLDICXWIYJWMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one (CAS 6337-11-7), with molecular formula C7H11F3OS2 and molecular weight 232.02 g/mol. IUPAC: 1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one.
Chemical Property Profile of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one
Property Insights of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one. With a topological polar surface area (TPSA) of 43.4 Ų, 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one 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 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one?
The CAS number of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one is 6337-11-7.
What is the molecular formula of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one?
The molecular formula of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one is C7H11F3OS2.
What is the molecular weight of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one?
The molecular weight of 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one is 232.02 g/mol.
Where can I buy 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one?
You can request a quote for 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4'-Mercapto)butylthio)-1,1,1-trifluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.