Products for Research Use Only
RegisterLogin

2-Thenoyltrifluoroacetone

CAT: 0957-E7069-1gSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0957-E7069-1gSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
326-91-0
Synonyms
HTTA, TTA, TTFA
Additionnal Information
2-Theoyltrifluoroacetone is a chelating agent and mitochondrial electron transfer chain inhibitor, with a IC50 value of 51.5 μM. 2-Thermoyltrifluoroacetone can chelate with various metal ions and has cytotoxicity and anti-tumor activity, which is expected to play an important role in the treatment of mitochondrial dysfunction related diseases[1][2][3].
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Thenoyltrifluoroacetone

Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration.

CAS Number326-91-0
PubChem CID5601
IUPAC Name4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
Molecular FormulaC8H5F3O2S
Molecular Weight222.19
XLogP2.2
Topological Polar Surface Area62.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity249
SMILES
C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKey
TXBBUSUXYMIVOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thenoyltrifluoroacetone
CAS: 326-91-0
CID: 5601
Formula: C8H5F3O2S
MW: 222.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.19
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass221.99623506
Monoisotopic Mass221.99623506
Topological Polar Surface Area62.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
S4508-012,2,2-Tribromoethanol
S4508-200mg2,2,2-Tribromoethanol
S4508-1g2,2,2-Tribromoethanol
S4508-50mg2,2,2-Tribromoethanol
S4982-25mg2,2':5',2''-Terthiophene
S4982-012,2':5',2''-Terthiophene
S4984-012,2'-Cyclouridine
E73282,2'-Bipyridine
E7328-100mg2,2'-Bipyridine
S4984-25mg2,2'-Cyclouridine

Alternative Products

CatalogName
C038022-Thenoyltrifluoroacetone
290997-01Thenoyltrifluoroacetone
HY-D0190R-012-Thenoyltrifluoroacetone (Standard)
230734-012-Thenoyltrifluoroacetone 99+% (HPLC)
PC1003049-012,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-0012'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-012,2,2,2'-Tetrafluoroacetophenone
OR1009873-012,2,2,2-Ethylenedinitrilotetraethanol
290342-012,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate

Popular Products