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4095-74-3 | 4-Thiazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-quinolinylidene)-2-thioxo-
CAS No: 4095-74-3 Catalog No: AG0073R6 MDL No:
Product Description
Catalog Number:
AG0073R6
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-quinolinylidene)-2-thioxo-
CAS Number:
4095-74-3
Molecular Formula:
C16H16N2OS2
Molecular Weight:
316.4410
IUPAC Name:
3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H16N2OS2/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(20)21-14/h5-10H,3-4H2,1-2H3
InChI Key:
MHMKWRMLSVEIRZ-UHFFFAOYSA-N
SMILES:
CCN1C(=S)SC(=c2ccc3c(n2CC)cccc3)C1=O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.437g/mol
Monoisotopic Mass:
316.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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