2-[(R)-methylsulfinyl]propan-2-ylbenzene

C10H14OS — CID 90451412

IUPAC2-[(R)-methylsulfinyl]propan-2-ylbenzene
SMILESC[S@@](=O)C(C)(C)c1ccccc1
InChIInChI=1S/C10H14OS/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m1/s1
InChIKeyQMVCYWKURMRCGL-GFCCVEGCSA-N
MW182.29 g/mol
LogP2.30
Rot. Bonds2

About 2-[(R)-methylsulfinyl]propan-2-ylbenzene

2-[(R)-methylsulfinyl]propan-2-ylbenzene (PubChem CID 90451412) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[(R)-methylsulfinyl]propan-2-ylbenzene.

Molecular Properties

Compound Name2-[(R)-methylsulfinyl]propan-2-ylbenzene
PubChem CID90451412
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-[(R)-methylsulfinyl]propan-2-ylbenzene
SMILESC[S@@](=O)C(C)(C)c1ccccc1
InChIInChI=1S/C10H14OS/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m1/s1
InChIKeyQMVCYWKURMRCGL-GFCCVEGCSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
CID 10825129
tert-butylbenzene;molecular nitrogen
CID 146464751
1-methylsulfinyl-2-phenylpropan-2-ol
CID 15013398
methyl 2-methylsulfinyl-2,2-diphenylacetate
CID 68803988
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1,1-difluoroethylbenzene
CID 10942535
CID 177002326
CID 177002326

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-methylsulfinyl]propan-2-ylbenzene?
The IUPAC name of 2-[(R)-methylsulfinyl]propan-2-ylbenzene (CID 90451412) is 2-[(R)-methylsulfinyl]propan-2-ylbenzene.
What is the SMILES notation for 2-[(R)-methylsulfinyl]propan-2-ylbenzene?
The canonical SMILES for 2-[(R)-methylsulfinyl]propan-2-ylbenzene is C[S@@](=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-[(R)-methylsulfinyl]propan-2-ylbenzene?
The InChIKey is QMVCYWKURMRCGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C10H14OS/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(R)-methylsulfinyl]propan-2-ylbenzene?
2-[(R)-methylsulfinyl]propan-2-ylbenzene has a molecular weight of 182.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-methylsulfinyl]propan-2-ylbenzene is sourced from PubChem (CID 90451412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).