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4-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid

4-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid

CAS: 344897-95-6

Formula: C22H15NO4S2

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1SC(=S)N(CC2=CC=CC=C2)C1=O

IUPAC: 4-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)

Composition: C (62.69%), H (3.59%), N (3.32%), O (15.18%), S (15.21%)

Molar Mass: 421.49

Atom Count: 44

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 421.044250315
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AEZGRQSLKVNPCI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.38
Topological Polar Surface Area 70.75
Polarizability 46.05
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 344897-95-6 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 344897-95-6 $42.87-$931.88$42.87$107.19$138.71$221.94$354.34$583.84$931.88
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