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

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

Formula: C14H14N2O2S

SMILES: O=S1(=O)C2=C(C=CC=C2)N2CCCCCC2=C1C#N

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

InChI: InChI=1S/C14H14N2O2S/c15-10-14-12-6-2-1-5-9-16(12)11-7-3-4-8-13(11)19(14,17)18/h3-4,7-8H,1-2,5-6,9H2

Composition: C (61.29%), H (5.14%), N (10.21%), O (11.66%), S (11.69%)

Molar Mass: 274.34

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.077598873
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HUEFFZLOFNDLQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.75
Topological Polar Surface Area	61.17
Polarizability	28.49
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H14N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00