7-acetyl-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-8,8-dione

7-acetyl-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-8,8-dione

Formula: C13H13NO3S

SMILES: CC(=O)C1=C2CCCN2C2=C(C=CC=C2)S1(=O)=O

IUPAC: 7-acetyl-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-8,8-dione

InChI: InChI=1S/C13H13NO3S/c1-9(15)13-11-6-4-8-14(11)10-5-2-3-7-12(10)18(13,16)17/h2-3,5,7H,4,6,8H2,1H3

Composition: C (59.30%), H (4.98%), N (5.32%), O (18.23%), S (12.18%)

Molar Mass: 263.31

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.061614457
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MFFWCLCMKANSBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.12
Topological Polar Surface Area	54.45
Polarizability	26.89
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00