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2-[(R)-benzenesulfinyl]-1,3,5-trimethylbenzene

2-[(R)-benzenesulfinyl]-1,3,5-trimethylbenzene

CAS: 100431-21-8

Formula: C15H16OS

SMILES: CC1=CC(C)=C(C(C)=C1)[S@](=O)C1=CC=CC=C1

IUPAC: 2-[(R)-benzenesulfinyl]-1,3,5-trimethylbenzene

InChI: InChI=1S/C15H16OS/c1-11-9-12(2)15(13(3)10-11)17(16)14-7-5-4-6-8-14/h4-10H,1-3H3/t17-/m1/s1

Composition: C (73.73%), H (6.60%), O (6.55%), S (13.12%)

Molar Mass: 244.35

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 244.092186309
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NPTGGTKSCLGSSS-QGZVFWFLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.24
Topological Polar Surface Area 17.07
Polarizability 29.01
Ring Count 2
Rotatable Bond Count 2

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