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(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

CAS: 331261-30-4

Formula: C12H11NO3S2

SMILES: COC1=C(O)C=C(C=C2SC(=S)N(C)C2=O)C=C1

IUPAC: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C12H11NO3S2/c1-13-11(15)10(18-12(13)17)6-7-3-4-9(16-2)8(14)5-7/h3-6,14H,1-2H3/b10-6+

Composition: C (51.23%), H (3.94%), N (4.98%), O (17.06%), S (22.79%)

Molar Mass: 281.34

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.018035566
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FYJSHHXPSLMVKG-UXBLZVDNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.55
Topological Polar Surface Area 49.77
Polarizability 29.44
Ring Count 2
Rotatable Bond Count 2

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