Tìm theo
Thenoyltrifluoroacetone
Các tên gọi khác (7 ) :
  • .alpha.-Thenoyltrifluoroacetone
  • 1-Thenoyl-3,3,3-trifluoroacetone
  • 1,1,1-Trifluoro-3-(2-thenoyl)acetone
  • 2-Thenoyltrifluoroacetone
  • alpha-Thenoyltrifluoroacetone
  • Perfluoroacetyl(2-thenoyl)methane
  • TTFA
chelating agents
Thuốc Gốc
Small Molecule
CAS: 326-91-0
CTHH: C8H5F3O2S
PTK: 222.184
Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H5F3O2S
Phân tử khối
222.184
Monoisotopic mass
221.996234709
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChI Key
InChIKey=TXBBUSUXYMIVOS-UHFFFAOYSA-N
IUPAC Name
4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
Traditional IUPAC Name
thenoyltrifluoroacetone
SMILES
FC(F)(F)C(=O)CC(=O)C1=CC=CS1
Độ tan chảy
42 °C
Độ sôi
96-98 °C at 8.00E+00 mm Hg
Độ hòa tan
7.52e-02 g/l
logP
1.46
logS
-3.5
pKa (strongest acidic)
7.17
pKa (Strongest Basic)
-8
PSA
34.14 Å2
Refractivity
44.26 m3·mol-1
Polarizability
16.74 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Dược Lực Học : Studies indicate that thenoyltrifluoroacetone is a potent inhibitor of carboxylesterase activity, in addition to its ability to inhibit mitochondrial complex II activity.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04795
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5601
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504456
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