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5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one

CAS: 4332-95-0

Formula: C16H14N2O2S

SMILES: OC1=CC=C(CC2NC(=S)N(C2=O)C2=CC=CC=C2)C=C1

IUPAC: 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)

Composition: C (64.41%), H (4.73%), N (9.39%), O (10.72%), S (10.75%)

Molar Mass: 298.36

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 298.077598873
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey LCFDDJINTNHAEQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.81
Topological Polar Surface Area 52.57
Polarizability 32.95
Ring Count 3
Rotatable Bond Count 3

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