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23522-40-9 | 4-Thiazolidinone, 3-(3-methylphenyl)-5-propyl-2-thioxo-
CAS No: 23522-40-9 Catalog No: AG002NJZ MDL No:
Product Description
Catalog Number:
AG002NJZ
Chemical Name:
4-Thiazolidinone, 3-(3-methylphenyl)-5-propyl-2-thioxo-
CAS Number:
23522-40-9
Molecular Formula:
C13H15NOS2
Molecular Weight:
265.3943
IUPAC Name:
3-(3-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NOS2/c1-3-5-11-12(15)14(13(16)17-11)10-7-4-6-9(2)8-10/h4,6-8,11H,3,5H2,1-2H3
InChI Key:
UZMPKOHFPQQOPX-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)c1cccc(c1)C
Properties
Complexity:
319
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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