1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene

C11H16OS — CID 146269856

IUPAC1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
SMILESCCc1ccc([S@](=O)C(C)C)cc1
InChIInChI=1S/C11H16OS/c1-4-10-5-7-11(8-6-10)13(12)9(2)3/h5-9H,4H2,1-3H3/t13-/m1/s1
InChIKeyXUSCDLRWNNBKGF-CYBMUJFWSA-N
MW196.31 g/mol
LogP2.77
Rot. Bonds3

About 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene

1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene (PubChem CID 146269856) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
PubChem CID146269856
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
SMILESCCc1ccc([S@](=O)C(C)C)cc1
InChIInChI=1S/C11H16OS/c1-4-10-5-7-11(8-6-10)13(12)9(2)3/h5-9H,4H2,1-3H3/t13-/m1/s1
InChIKeyXUSCDLRWNNBKGF-CYBMUJFWSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 91872170
CID 91872170
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
ethane;4-ethyl-N,N-dimethylbenzenesulfinamide
CID 164551718
1,4-diethylbenzene;oxoalumane
CID 174317758
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
CID 139793494
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene?
The IUPAC name of 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene (CID 146269856) is 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene?
The canonical SMILES for 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene is CCc1ccc([S@](=O)C(C)C)cc1.
What is the InChIKey of 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene?
The InChIKey is XUSCDLRWNNBKGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C11H16OS/c1-4-10-5-7-11(8-6-10)13(12)9(2)3/h5-9H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene?
1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene has a molecular weight of 196.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene is sourced from PubChem (CID 146269856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).