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5-(5-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid

5-(5-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid

Formula: C19H13NO6S2

SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC=C(O1)C=C1SC(=S)N(CC=C)C1=O

IUPAC: 5-(5-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C19H13NO6S2/c1-2-5-20-16(21)15(28-19(20)27)9-13-3-4-14(26-13)10-6-11(17(22)23)8-12(7-10)18(24)25/h2-4,6-9H,1,5H2,(H,22,23)(H,24,25)/b15-9+

Composition: C (54.93%), H (3.15%), N (3.37%), O (23.11%), S (15.43%)

Molar Mass: 415.43

Atom Count: 41

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 415.018429491
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey KFIUTZKPQHPAMP-OQLLNIDSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.19
Topological Polar Surface Area 108.05
Polarizability 42.25
Ring Count 3
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H13NO6S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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