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23517-56-8 | 4-Thiazolidinone, 3-(4-bromo-3-chlorophenyl)-5-butyl-2-thioxo-
CAS No: 23517-56-8 Catalog No: AG002NJP MDL No:
Product Description
Catalog Number:
AG002NJP
Chemical Name:
4-Thiazolidinone, 3-(4-bromo-3-chlorophenyl)-5-butyl-2-thioxo-
CAS Number:
23517-56-8
Molecular Formula:
C13H13BrClNOS2
Molecular Weight:
378.7354
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13BrClNOS2/c1-2-3-4-11-12(17)16(13(18)19-11)8-5-6-9(14)10(15)7-8/h5-7,11H,2-4H2,1H3
InChI Key:
JMBQEVHBTYVLJM-UHFFFAOYSA-N
SMILES:
CCCCC1SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.931g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.727g/mol
Monoisotopic Mass:
376.931g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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