5-phenyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-phenyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C16H13NO2S

SMILES: O=C1OC(=NC2=C1C1=C(CCCC1)S2)C1=CC=CC=C1

IUPAC: 5-phenyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C16H13NO2S/c18-16-13-11-8-4-5-9-12(11)20-15(13)17-14(19-16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Composition: C (67.82%), H (4.62%), N (4.94%), O (11.29%), S (11.31%)

Molar Mass: 283.35

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	283.066699837
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WCCHLKANERBZME-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	79.8
Topological Polar Surface Area	38.66
Polarizability	29.47
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00