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Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-
TL;DR: Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- (CAS 65799-63-5) is a chemical compound with molecular formula C9H5F7S and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanylbenzene
Also Known As: 1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanylbenzene, Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-, Phenyl 1,1,1,2,3,3,3-heptafluoroisopropyl sulfide, [[1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl]thio]benzene, Benzene,[[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]
| Molecular Formula | C9H5F7S |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.00003 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 65799-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | DZFZSHDFMCYFCK-UHFFFAOYSA-N |
Product Overview
Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- (CAS 65799-63-5), with molecular formula C9H5F7S and molecular weight 278.00 g/mol. IUPAC: 1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanylbenzene.
Chemical Property Profile of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-
Property Insights of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-
The XLogP value of 5.0 indicates that Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- has 0 hydrogen bond donor(s) and 8 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 Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-?
The CAS number of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- is 65799-63-5.
What is the molecular formula of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-?
The molecular formula of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- is C9H5F7S.
What is the molecular weight of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-?
The molecular weight of Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- is 278.00 g/mol.
Where can I buy Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-?
You can request a quote for Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.