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23517-55-7 | 4-Thiazolidinone, 3-(4-bromo-3-chlorophenyl)-5-propyl-2-thioxo-
CAS No: 23517-55-7 Catalog No: AG002NJQ MDL No:
Product Description
Catalog Number:
AG002NJQ
Chemical Name:
4-Thiazolidinone, 3-(4-bromo-3-chlorophenyl)-5-propyl-2-thioxo-
CAS Number:
23517-55-7
Molecular Formula:
C12H11BrClNOS2
Molecular Weight:
364.7088
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11BrClNOS2/c1-2-3-10-11(16)15(12(17)18-10)7-4-5-8(13)9(14)6-7/h4-6,10H,2-3H2,1H3
InChI Key:
IKQPMUNSQCTZEF-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.915g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.7g/mol
Monoisotopic Mass:
362.915g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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