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478078-10-3 | 3-ethyl-5-[(furan-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478078-10-3 Catalog No: AG00IRXX MDL No:MFCD02570989
Product Description
Catalog Number:
AG00IRXX
Chemical Name:
3-ethyl-5-[(furan-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478078-10-3
Molecular Formula:
C12H11N5O2S
Molecular Weight:
289.3130
MDL Number:
MFCD02570989
IUPAC Name:
3-ethyl-5-(furan-2-ylmethylidene)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11N5O2S/c1-2-17-11(18)10(6-9-4-3-5-19-9)20-12(17)15-16-7-13-14-8-16/h3-8H,2H2,1H3
InChI Key:
IKEMEABPXADHDH-UHFFFAOYSA-N
SMILES:
CCN1C(=Nn2cnnc2)SC(=Cc2ccco2)C1=O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.313g/mol
Monoisotopic Mass:
289.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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