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(methanesulfonylmethyl)benzene

(methanesulfonylmethyl)benzene

CAS: 3112-90-1

Formula: C8H10O2S

SMILES: CS(=O)(=O)CC1=CC=CC=C1

IUPAC: (methanesulfonylmethyl)benzene

InChI: InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Composition: C (56.45%), H (5.92%), O (18.80%), S (18.83%)

Molar Mass: 170.23

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.040150736
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BEARMXYKACECDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.06
Topological Polar Surface Area 34.14
Polarizability 18.18
Ring Count 1
Rotatable Bond Count 2

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