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15328-92-4 | 4-Thiazolidinone, 5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thioxo-
CAS No: 15328-92-4 Catalog No: AG007IHA MDL No:
Product Description
Catalog Number:
AG007IHA
Chemical Name:
4-Thiazolidinone, 5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thioxo-
CAS Number:
15328-92-4
Molecular Formula:
C13H11NO2S2
Molecular Weight:
277.3619
IUPAC Name:
5-[3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H11NO2S2/c1-16-10-7-5-9(6-8-10)3-2-4-11-12(15)14-13(17)18-11/h2-8H,1H3,(H,14,15,17)
InChI Key:
DZJNBSVRWKLBRF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC=C1SC(=S)NC1=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.356g/mol
Monoisotopic Mass:
277.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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