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23554-93-0 | 4-Thiazolidinone, 3-(4-bromophenyl)-5-butyl-2-thioxo-
CAS No: 23554-93-0 Catalog No: AG002NNB MDL No:
Product Description
Catalog Number:
AG002NNB
Chemical Name:
4-Thiazolidinone, 3-(4-bromophenyl)-5-butyl-2-thioxo-
CAS Number:
23554-93-0
Molecular Formula:
C13H14BrNOS2
Molecular Weight:
344.2904
IUPAC Name:
3-(4-bromophenyl)-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H14BrNOS2/c1-2-3-4-11-12(16)15(13(17)18-11)10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3
InChI Key:
DDHDUSQYKKLIJV-UHFFFAOYSA-N
SMILES:
CCCCC1SC(=S)N(C1=O)c1ccc(cc1)Br
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.97g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.285g/mol
Monoisotopic Mass:
342.97g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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