3-hydroxy-3-phenyl-1??-thietane-1,1-dione

3-hydroxy-3-phenyl-1??-thietane-1,1-dione

CAS: 66982-50-1

Formula: C9H10O3S

SMILES: OC1(CS(=O)(=O)C1)C1=CC=CC=C1

IUPAC: 3-hydroxy-3-phenyl-1??-thietane-1,1-dione

InChI: InChI=1S/C9H10O3S/c10-9(6-13(11,12)7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2

Composition: C (54.53%), H (5.08%), O (24.21%), S (16.17%)

Molar Mass: 198.24

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.035065356
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WQQCAQZKDUQKTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.04
Topological Polar Surface Area	54.37
Polarizability	19.94
Ring Count	2
Rotatable Bond Count	1

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