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13801-41-7 | 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-4-thioxo-
CAS No: 13801-41-7 Catalog No: AG0017US MDL No:
Product Description
Catalog Number:
AG0017US
Chemical Name:
2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-4-thioxo-
CAS Number:
13801-41-7
Molecular Formula:
C8H5F3OS2
Molecular Weight:
238.2499
IUPAC Name:
1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-ylbutan-2-one
InChI:
InChI=1S/C8H5F3OS2/c9-8(10,11)7(12)4-5(13)6-2-1-3-14-6/h1-3H,4H2
InChI Key:
SCSSJQAVQJCRQC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CC(=S)c1cccs1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.973g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.242g/mol
Monoisotopic Mass:
237.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of a Eu-containing polymer precursor featuring thenoyltrifluoroacetone and 5-acrylamido-1,10-phenanthroline. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101 |
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