5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

CAS: 897340-70-4

Formula: C16H12N2O3S

SMILES: OC1=C(O)C=C(C=C2NC(=S)N(C2=O)C2=CC=CC=C2)C=C1

IUPAC: 5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C16H12N2O3S/c19-13-7-6-10(9-14(13)20)8-12-15(21)18(16(22)17-12)11-4-2-1-3-5-11/h1-9,19-20H,(H,17,22)

Composition: C (61.53%), H (3.87%), N (8.97%), O (15.37%), S (10.26%)

Molar Mass: 312.34

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	312.056863428
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	IYLXAOKJWRWHTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.35
Topological Polar Surface Area	72.8
Polarizability	33.3
Ring Count	3
Rotatable Bond Count	2

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