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23522-45-4 | 4-Thiazolidinone, 3-(4-methylphenyl)-5-propyl-2-thioxo-
CAS No: 23522-45-4 Catalog No: AG002NJW MDL No:
Product Description
Catalog Number:
AG002NJW
Chemical Name:
4-Thiazolidinone, 3-(4-methylphenyl)-5-propyl-2-thioxo-
CAS Number:
23522-45-4
Molecular Formula:
C13H15NOS2
Molecular Weight:
265.3943
IUPAC Name:
3-(4-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NOS2/c1-3-4-11-12(15)14(13(16)17-11)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3
InChI Key:
NDUYLFHBELLXTJ-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)c1ccc(cc1)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.389g/mol
Monoisotopic Mass:
265.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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