1,1-dioxo-1??-thiane-4-carbonitrile

1,1-dioxo-1??-thiane-4-carbonitrile

CAS: 912578-71-3

Formula: C6H9NO2S

SMILES: O=S1(=O)CCC(CC1)C#N

IUPAC: 1,1-dioxo-1??-thiane-4-carbonitrile

InChI: InChI=1S/C6H9NO2S/c7-5-6-1-3-10(8,9)4-2-6/h6H,1-4H2

Composition: C (45.27%), H (5.70%), N (8.80%), O (20.10%), S (20.14%)

Molar Mass: 159.2

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	159.035399708
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ANLYUZZMZKUSMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.73
Topological Polar Surface Area	57.93
Polarizability	15.14
Ring Count	1
Rotatable Bond Count	0

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