[(1R)-1-methylsulfinylethyl]benzene

C9H12OS — CID 15685613

IUPAC[(1R)-1-methylsulfinylethyl]benzene
SMILESC[C@H](c1ccccc1)S(C)=O
InChIInChI=1S/C9H12OS/c1-8(11(2)10)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,11?/m1/s1
InChIKeyDTAYWBJSRSESOS-RZZZFEHKSA-N
MW168.26 g/mol
LogP2.13
Rot. Bonds2

About [(1R)-1-methylsulfinylethyl]benzene

[(1R)-1-methylsulfinylethyl]benzene (PubChem CID 15685613) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is [(1R)-1-methylsulfinylethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-methylsulfinylethyl]benzene
PubChem CID15685613
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name[(1R)-1-methylsulfinylethyl]benzene
SMILESC[C@H](c1ccccc1)S(C)=O
InChIInChI=1S/C9H12OS/c1-8(11(2)10)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,11?/m1/s1
InChIKeyDTAYWBJSRSESOS-RZZZFEHKSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
bis(methylsulfinyl)methylbenzene
CID 173250906
1-phenylethanesulfinate;sulfuric acid
CID 174523812
cumene;methylsulfinylbenzene
CID 143291926
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754
1-bromo-2-(1-phenylethylsulfinyl)benzene
CID 75512158
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene
CID 78853458
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methylsulfinylethyl]benzene?
The IUPAC name of [(1R)-1-methylsulfinylethyl]benzene (CID 15685613) is [(1R)-1-methylsulfinylethyl]benzene.
What is the SMILES notation for [(1R)-1-methylsulfinylethyl]benzene?
The canonical SMILES for [(1R)-1-methylsulfinylethyl]benzene is C[C@H](c1ccccc1)S(C)=O.
What is the InChIKey of [(1R)-1-methylsulfinylethyl]benzene?
The InChIKey is DTAYWBJSRSESOS-RZZZFEHKSA-N. The full InChI is InChI=1S/C9H12OS/c1-8(11(2)10)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,11?/m1/s1.
What are the key properties of [(1R)-1-methylsulfinylethyl]benzene?
[(1R)-1-methylsulfinylethyl]benzene has a molecular weight of 168.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methylsulfinylethyl]benzene is sourced from PubChem (CID 15685613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).