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23522-62-5 | 4-Thiazolidinone, 3-(4-bromophenyl)-5-propyl-2-thioxo-
CAS No: 23522-62-5 Catalog No: AG002NKZ MDL No:
Product Description
Catalog Number:
AG002NKZ
Chemical Name:
4-Thiazolidinone, 3-(4-bromophenyl)-5-propyl-2-thioxo-
CAS Number:
23522-62-5
Molecular Formula:
C12H12BrNOS2
Molecular Weight:
330.2638
IUPAC Name:
3-(4-bromophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H12BrNOS2/c1-2-3-10-11(15)14(12(16)17-10)9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3
InChI Key:
HHEAOHFAVWGTJI-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)c1ccc(cc1)Br
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.954g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.258g/mol
Monoisotopic Mass:
328.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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