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1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one

1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one

CAS: 1328839-29-7

Formula: C12H13NO2S

SMILES: CCC(=O)N1[C@@H](COC1=S)C1=CC=CC=C1

IUPAC: 1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one

InChI: InChI=1S/C12H13NO2S/c1-2-11(14)13-10(8-15-12(13)16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1

Composition: C (61.25%), H (5.57%), N (5.95%), O (13.60%), S (13.63%)

Molar Mass: 235.3

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 235.066699837
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PRFLWLYHKSPZGT-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.48
Topological Polar Surface Area 29.54
Polarizability 26.01
Ring Count 2
Rotatable Bond Count 2

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