1-(benzenesulfonyl)-3,3-dimethylbutan-2-one

1-(benzenesulfonyl)-3,3-dimethylbutan-2-one

Formula: C12H16O3S

SMILES: CC(C)(C)C(=O)CS(=O)(=O)C1=CC=CC=C1

IUPAC: 1-(benzenesulfonyl)-3,3-dimethylbutan-2-one

InChI: InChI=1S/C12H16O3S/c1-12(2,3)11(13)9-16(14,15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

Composition: C (59.98%), H (6.71%), O (19.97%), S (13.34%)

Molar Mass: 240.32

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.082015549
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KEXNSQSTQQRAOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.15
Topological Polar Surface Area	51.21
Polarizability	25.59
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00