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(benzenesulfonyl)methanesulfonylbenzene

(benzenesulfonyl)methanesulfonylbenzene

CAS: 3406-02-8

Formula: C13H12O4S2

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

IUPAC: (benzenesulfonyl)methanesulfonylbenzene

InChI: InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2

Composition: C (52.69%), H (4.08%), O (21.59%), S (21.64%)

Molar Mass: 296.36

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.017701214
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QCHNSJNRFSOCLJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.4
Topological Polar Surface Area 68.28
Polarizability 30.06
Ring Count 2
Rotatable Bond Count 4

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