4-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.5.0.0²,?]pentadeca-2(7),3,5,9-tetraene-9-carbonitrile

4-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.5.0.0²,?]pentadeca-2(7),3,5,9-tetraene-9-carbonitrile

Formula: C14H13FN2O2S

SMILES: FC1=CC2=C(C=C1)S(=O)(=O)C(C#N)=C1CCCCCN21

IUPAC: 4-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.5.0.0²,?]pentadeca-2(7),3,5,9-tetraene-9-carbonitrile

InChI: InChI=1S/C14H13FN2O2S/c15-10-5-6-13-12(8-10)17-7-3-1-2-4-11(17)14(9-16)20(13,18)19/h5-6,8H,1-4,7H2

Composition: C (57.52%), H (4.48%), F (6.50%), N (9.58%), O (10.95%), S (10.97%)

Molar Mass: 292.33

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.068177004
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QWQPAPQXQSPFOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.96
Topological Polar Surface Area	61.17
Polarizability	28.21
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13FN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00