1,1-dioxo-1??-thietane-3-carboxylic acid

1,1-dioxo-1??-thietane-3-carboxylic acid

CAS: 13129-21-0

Formula: C4H6O4S

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

IUPAC: 1,1-dioxo-1??-thietane-3-carboxylic acid

InChI: InChI=1S/C4H6O4S/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)

Composition: C (32.00%), H (4.03%), O (42.62%), S (21.35%)

Molar Mass: 150.15

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	149.998679847
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YRWVDUXZQYVBJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.24
Topological Polar Surface Area	71.44
Polarizability	12.31
Ring Count	1
Rotatable Bond Count	1

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