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(5E)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C17H11Cl2NO2S2

SMILES: OC1=C(Cl)C=C(C=C2SC(=S)N(CC3=CC=CC=C3)C2=O)C=C1Cl

IUPAC: (5E)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C17H11Cl2NO2S2/c18-12-6-11(7-13(19)15(12)21)8-14-16(22)20(17(23)24-14)9-10-4-2-1-3-5-10/h1-8,21H,9H2/b14-8+

Composition: C (51.52%), H (2.80%), Cl (17.89%), N (3.53%), O (8.07%), S (16.18%)

Molar Mass: 396.3

Atom Count: 35

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 394.9608263
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GUTDAFSEGCDHHH-RIYZIHGNSA-N
Lipinski's Rule of Five
Molar Refractivity 105.31
Topological Polar Surface Area 40.54
Polarizability 40.29
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H11Cl2NO2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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