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571920-78-0 | 2-[2-(4-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS No: 571920-78-0 Catalog No: AG019IH6 MDL No:MFCD04612961
Product Description
Catalog Number:
AG019IH6
Chemical Name:
2-[2-(4-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS Number:
571920-78-0
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD04612961
IUPAC Name:
2-[2-(4-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H17NO2S/c1-2-3-4-11-5-7-12(8-6-11)13(17)9-15-16-14(18)10-19-15/h5-9H,2-4,10H2,1H3,(H,16,18)
InChI Key:
LRDRFCDJPIWFKO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)C=C1SCC(=O)N1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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