1-(benzenesulfonyl)-2,4-dimethylbenzene

1-(benzenesulfonyl)-2,4-dimethylbenzene

CAS: 4212-74-2

Formula: C14H14O2S

SMILES: CC1=CC=C(C(C)=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 1-(benzenesulfonyl)-2,4-dimethylbenzene

InChI: InChI=1S/C14H14O2S/c1-11-8-9-14(12(2)10-11)17(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3

Composition: C (68.27%), H (5.73%), O (12.99%), S (13.02%)

Molar Mass: 246.32

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	246.071450865
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZCVSDPUSEUOUHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.67
Topological Polar Surface Area	34.14
Polarizability	27.92
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	4212-74-2		$112.82-$308.43$112.82$308.43