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71811-78-4 | 3-ethyl-5-(1-ethyl-(1H)-quinolin-4-ylidene)-2-thioxothiazolidin-4-one
CAS No: 71811-78-4 Catalog No: AG00FPCW MDL No:
Product Description
Catalog Number:
AG00FPCW
Chemical Name:
3-ethyl-5-(1-ethyl-(1H)-quinolin-4-ylidene)-2-thioxothiazolidin-4-one
CAS Number:
71811-78-4
IUPAC Name:
(5Z)-3-ethyl-5-(1-ethylquinolin-4-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H16N2OS2/c1-3-17-10-9-12(11-7-5-6-8-13(11)17)14-15(19)18(4-2)16(20)21-14/h5-10H,3-4H2,1-2H3/b14-12-
InChI Key:
SJKAWMIVOOJBKE-OWBHPGMISA-N
EC Number:
276-041-5
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.6
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