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Home > Aldehydes > 175277-56-2
175277-56-2 | 6-((3-(Trifluoromethyl);phenyl);thio);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS No: 175277-56-2 Catalog No: AG0077IZ MDL No:MFCD00102587
Product Description
Catalog Number:
AG0077IZ
Chemical Name:
6-((3-(Trifluoromethyl);phenyl);thio);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS Number:
175277-56-2
Molecular Formula:
C13H7F3N2OS2
Molecular Weight:
328.3327
MDL Number:
MFCD00102587
IUPAC Name:
6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C13H7F3N2OS2/c14-13(15,16)8-2-1-3-9(6-8)21-11-10(7-19)18-4-5-20-12(18)17-11/h1-7H
InChI Key:
QAONKFBVSURDOH-UHFFFAOYSA-N
SMILES:
O=Cc1c(Sc2cccc(c2)C(F)(F)F)nc2n1ccs2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.327g/mol
Monoisotopic Mass:
327.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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