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23522-16-9 | 4-Thiazolidinone, 5-butyl-3-(1-phenylethyl)-2-thioxo-
CAS No: 23522-16-9 Catalog No: AG002NK8 MDL No:
Product Description
Catalog Number:
AG002NK8
Chemical Name:
4-Thiazolidinone, 5-butyl-3-(1-phenylethyl)-2-thioxo-
CAS Number:
23522-16-9
Molecular Formula:
C15H19NOS2
Molecular Weight:
293.4475
IUPAC Name:
5-butyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H19NOS2/c1-3-4-10-13-14(17)16(15(18)19-13)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChI Key:
JYYQBQLDJQFEIR-UHFFFAOYSA-N
SMILES:
CCCCC1SC(=S)N(C1=O)C(c1ccccc1)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.443g/mol
Monoisotopic Mass:
293.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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