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23517-67-1 | 4-Thiazolidinone, 3-(4-bromo-3-methylphenyl)-5-propyl-2-thioxo-
CAS No: 23517-67-1 Catalog No: AG002NJH MDL No:
Product Description
Catalog Number:
AG002NJH
Chemical Name:
4-Thiazolidinone, 3-(4-bromo-3-methylphenyl)-5-propyl-2-thioxo-
CAS Number:
23517-67-1
Molecular Formula:
C13H14BrNOS2
Molecular Weight:
344.2904
IUPAC Name:
3-(4-bromo-3-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H14BrNOS2/c1-3-4-11-12(16)15(13(17)18-11)9-5-6-10(14)8(2)7-9/h5-7,11H,3-4H2,1-2H3
InChI Key:
KCYOLTMYVQUMST-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)c1ccc(c(c1)C)Br
Properties
Complexity:
350
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:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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