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1??-thietane-1,1,3-trione

1??-thietane-1,1,3-trione

CAS: 1599-23-1

Formula: C3H4O3S

SMILES: O=C1CS(=O)(=O)C1

IUPAC: 1??-thietane-1,1,3-trione

InChI: InChI=1S/C3H4O3S/c4-3-1-7(5,6)2-3/h1-2H2

Composition: C (30.00%), H (3.36%), O (39.96%), S (26.69%)

Molar Mass: 120.12

Atom Count: 11

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 119.988115163
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AYVTTWZAVAGWEX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 23.11
Topological Polar Surface Area 51.21
Polarizability 9.95
Ring Count 1
Rotatable Bond Count 0

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