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3-(2-hydroxy-1-phenylethyl)-2-sulfanylideneimidazolidin-4-one

3-(2-hydroxy-1-phenylethyl)-2-sulfanylideneimidazolidin-4-one

CAS: 338777-60-9

Formula: C11H12N2O2S

SMILES: OCC(N1C(=O)CNC1=S)C1=CC=CC=C1

IUPAC: 3-(2-hydroxy-1-phenylethyl)-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1/C11H12N2O2S/c14-7-9(8-4-2-1-3-5-8)13-10(15)6-12-11(13)16/h1-5,9,14H,6-7H2,(H,12,16)

Composition: C (55.92%), H (5.12%), N (11.86%), O (13.54%), S (13.57%)

Molar Mass: 236.29

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 236.061948808
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FURQFDBXKBROJI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.51
Topological Polar Surface Area 52.57
Polarizability 25.23
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 338777-60-9 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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