5-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.4.0.0²,?]tetradeca-2(7),3,5,9-tetraene-9-carbonitrile

5-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.4.0.0²,?]tetradeca-2(7),3,5,9-tetraene-9-carbonitrile

Formula: C13H11FN2O2S

SMILES: FC1=CC2=C(C=C1)N1CCCCC1=C(C#N)S2(=O)=O

IUPAC: 5-fluoro-8,8-dioxo-8??-thia-1-azatricyclo[8.4.0.0²,?]tetradeca-2(7),3,5,9-tetraene-9-carbonitrile

InChI: InChI=1S/C13H11FN2O2S/c14-9-4-5-11-12(7-9)19(17,18)13(8-15)10-3-1-2-6-16(10)11/h4-5,7H,1-3,6H2

Composition: C (56.11%), H (3.98%), F (6.83%), N (10.07%), O (11.50%), S (11.52%)

Molar Mass: 278.3

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.052526939
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WIGOONBBRLVQFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.36
Topological Polar Surface Area	61.17
Polarizability	26.38
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11FN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00