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307538-94-9 | 6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS No: 307538-94-9 Catalog No: AG019GQG MDL No:MFCD02988806
Product Description
Catalog Number:
AG019GQG
Chemical Name:
6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS Number:
307538-94-9
Molecular Formula:
C17H19NO3S2
Molecular Weight:
349.4677
MDL Number:
MFCD02988806
IUPAC Name:
6-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C17H19NO3S2/c1-12-6-8-13(9-7-12)11-14-16(21)18(17(22)23-14)10-4-2-3-5-15(19)20/h6-9,11H,2-5,10H2,1H3,(H,19,20)
InChI Key:
ZIYCXWQWXZKZBN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.081g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.463g/mol
Monoisotopic Mass:
349.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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