1-ethenyl-2-methylsulfinylbenzene

C9H10OS — CID 10881174

IUPAC1-ethenyl-2-methylsulfinylbenzene
SMILESC=Cc1ccccc1S(C)=O
InChIInChI=1S/C9H10OS/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7H,1H2,2H3
InChIKeyZSJZJOSORXQCNY-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.07
Rot. Bonds2

About 1-ethenyl-2-methylsulfinylbenzene

1-ethenyl-2-methylsulfinylbenzene (PubChem CID 10881174) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-ethenyl-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-methylsulfinylbenzene
PubChem CID10881174
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name1-ethenyl-2-methylsulfinylbenzene
SMILESC=Cc1ccccc1S(C)=O
InChIInChI=1S/C9H10OS/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7H,1H2,2H3
InChIKeyZSJZJOSORXQCNY-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylsulfinylbenzene?
The IUPAC name of 1-ethenyl-2-methylsulfinylbenzene (CID 10881174) is 1-ethenyl-2-methylsulfinylbenzene.
What is the SMILES notation for 1-ethenyl-2-methylsulfinylbenzene?
The canonical SMILES for 1-ethenyl-2-methylsulfinylbenzene is C=Cc1ccccc1S(C)=O.
What is the InChIKey of 1-ethenyl-2-methylsulfinylbenzene?
The InChIKey is ZSJZJOSORXQCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylsulfinylbenzene?
1-ethenyl-2-methylsulfinylbenzene has a molecular weight of 166.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylsulfinylbenzene is sourced from PubChem (CID 10881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).