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Home > Nitro Compounds > 273731-25-2
273731-25-2 | 4-Thiazolidinone, 3-ethyl-5-[[5-(2-nitrophenyl)-2-furanyl]methylene]-2-thioxo-
CAS No: 273731-25-2 Catalog No: AG00JOXA MDL No:
Product Description
Catalog Number:
AG00JOXA
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-[[5-(2-nitrophenyl)-2-furanyl]methylene]-2-thioxo-
CAS Number:
273731-25-2
Molecular Formula:
C16H12N2O4S2
Molecular Weight:
360.4075
IUPAC Name:
3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H12N2O4S2/c1-2-17-15(19)14(24-16(17)23)9-10-7-8-13(22-10)11-5-3-4-6-12(11)18(20)21/h3-9H,2H2,1H3
InChI Key:
BWAWMJRGHPMBSJ-UHFFFAOYSA-N
SMILES:
CCN1C(=S)S/C(=C/c2ccc(o2)c2ccccc2[N+](=O)[O-])/C1=O
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.024g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.402g/mol
Monoisotopic Mass:
360.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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