methylsulfinylbenzene

C7H8OS — CID 14516

IUPACmethylsulfinylbenzene
SMILESCS(=O)c1ccccc1
InChIInChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJXTGICXCHWMCPM-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.42
Rot. Bonds1

About methylsulfinylbenzene

methylsulfinylbenzene (PubChem CID 14516) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is methylsulfinylbenzene.

Molecular Properties

Compound Namemethylsulfinylbenzene
PubChem CID14516
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Namemethylsulfinylbenzene
SMILESCS(=O)c1ccccc1
InChIInChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJXTGICXCHWMCPM-UHFFFAOYSA-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 methylsulfinylbenzene?
The IUPAC name of methylsulfinylbenzene (CID 14516) is methylsulfinylbenzene.
What is the SMILES notation for methylsulfinylbenzene?
The canonical SMILES for methylsulfinylbenzene is CS(=O)c1ccccc1.
What is the InChIKey of methylsulfinylbenzene?
The InChIKey is JXTGICXCHWMCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylsulfinylbenzene?
methylsulfinylbenzene 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 methylsulfinylbenzene is sourced from PubChem (CID 14516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).