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3-[(5Z)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

3-[(5Z)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula: C17H17NO5S2

SMILES: COC1=C(O)C(CC=C)=CC(C=C2/SC(=S)N(CCC(O)=O)C2=O)=C1

IUPAC: 3-[(5Z)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

InChI: InChI=1S/C17H17NO5S2/c1-3-4-11-7-10(8-12(23-2)15(11)21)9-13-16(22)18(17(24)25-13)6-5-14(19)20/h3,7-9,21H,1,4-6H2,2H3,(H,19,20)/b13-9-

Composition: C (53.81%), H (4.52%), N (3.69%), O (21.08%), S (16.90%)

Molar Mass: 379.45

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 379.054814999
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey KXQBMWJRSZTLQV-LCYFTJDESA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.62
Topological Polar Surface Area 87.07
Polarizability 38.93
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17NO5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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