8,8-dioxo-8??-thia-2,13-diazatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carbonitrile

8,8-dioxo-8??-thia-2,13-diazatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carbonitrile

Formula: C11H9N3O2S

SMILES: O=S1(=O)C2=C(N=CC=C2)N2CCCC2=C1C#N

IUPAC: 8,8-dioxo-8??-thia-2,13-diazatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carbonitrile

InChI: InChI=1S/C11H9N3O2S/c12-7-10-8-3-2-6-14(8)11-9(17(10,15)16)4-1-5-13-11/h1,4-5H,2-3,6H2

Composition: C (53.43%), H (3.67%), N (16.99%), O (12.94%), S (12.97%)

Molar Mass: 247.27

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.041547716
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	OBENINUZIHCRGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.7
Topological Polar Surface Area	74.06
Polarizability	23.96
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H9N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00