[(S)-methylsulfinyl]benzene

C7H8OS — CID 11040784

IUPAC[(S)-methylsulfinyl]benzene
SMILESC[S@](=O)c1ccccc1
InChIInChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyJXTGICXCHWMCPM-VIFPVBQESA-N
MW140.21 g/mol
LogP1.42
Rot. Bonds1

About [(S)-methylsulfinyl]benzene

[(S)-methylsulfinyl]benzene (PubChem CID 11040784) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is [(S)-methylsulfinyl]benzene.

Molecular Properties

Compound Name[(S)-methylsulfinyl]benzene
PubChem CID11040784
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name[(S)-methylsulfinyl]benzene
SMILESC[S@](=O)c1ccccc1
InChIInChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyJXTGICXCHWMCPM-VIFPVBQESA-N
XLogP1.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(S)-methylsulfinyl]benzene?
The IUPAC name of [(S)-methylsulfinyl]benzene (CID 11040784) is [(S)-methylsulfinyl]benzene.
What is the SMILES notation for [(S)-methylsulfinyl]benzene?
The canonical SMILES for [(S)-methylsulfinyl]benzene is C[S@](=O)c1ccccc1.
What is the InChIKey of [(S)-methylsulfinyl]benzene?
The InChIKey is JXTGICXCHWMCPM-VIFPVBQESA-N. The full InChI is InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1.
What are the key properties of [(S)-methylsulfinyl]benzene?
[(S)-methylsulfinyl]benzene has a molecular weight of 140.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-methylsulfinyl]benzene is sourced from PubChem (CID 11040784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).