1-[(S)-ethenylsulfinyl]-4-fluorobenzene

C8H7FOS — CID 138975025

IUPAC1-[(S)-ethenylsulfinyl]-4-fluorobenzene
SMILESC=C[S@](=O)c1ccc(F)cc1
InChIInChI=1S/C8H7FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h2-6H,1H2/t11-/m0/s1
InChIKeyVGLVVVNATVNEPM-NSHDSACASA-N
MW170.21 g/mol
LogP2.08
Rot. Bonds2

About 1-[(S)-ethenylsulfinyl]-4-fluorobenzene

1-[(S)-ethenylsulfinyl]-4-fluorobenzene (PubChem CID 138975025) has the molecular formula C8H7FOS and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(S)-ethenylsulfinyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(S)-ethenylsulfinyl]-4-fluorobenzene
PubChem CID138975025
Molecular FormulaC8H7FOS
Molecular Weight170.21 g/mol
Exact Mass170.02
IUPAC Name1-[(S)-ethenylsulfinyl]-4-fluorobenzene
SMILESC=C[S@](=O)c1ccc(F)cc1
InChIInChI=1S/C8H7FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h2-6H,1H2/t11-/m0/s1
InChIKeyVGLVVVNATVNEPM-NSHDSACASA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-ethenylsulfinyl]-4-fluorobenzene?
The IUPAC name of 1-[(S)-ethenylsulfinyl]-4-fluorobenzene (CID 138975025) is 1-[(S)-ethenylsulfinyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(S)-ethenylsulfinyl]-4-fluorobenzene?
The canonical SMILES for 1-[(S)-ethenylsulfinyl]-4-fluorobenzene is C=C[S@](=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(S)-ethenylsulfinyl]-4-fluorobenzene?
The InChIKey is VGLVVVNATVNEPM-NSHDSACASA-N. The full InChI is InChI=1S/C8H7FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h2-6H,1H2/t11-/m0/s1.
What are the key properties of 1-[(S)-ethenylsulfinyl]-4-fluorobenzene?
1-[(S)-ethenylsulfinyl]-4-fluorobenzene has a molecular weight of 170.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-ethenylsulfinyl]-4-fluorobenzene is sourced from PubChem (CID 138975025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).