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

C8H9FOS — CID 92979290

IUPAC1-[(S)-ethylsulfinyl]-4-fluorobenzene
SMILESCC[S@](=O)c1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t11-/m0/s1
InChIKeyHMNZWRINAXKQRI-NSHDSACASA-N
MW172.22 g/mol
LogP1.95
Rot. Bonds2

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

1-[(S)-ethylsulfinyl]-4-fluorobenzene (PubChem CID 92979290) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-[(S)-ethylsulfinyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(S)-ethylsulfinyl]-4-fluorobenzene
PubChem CID92979290
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name1-[(S)-ethylsulfinyl]-4-fluorobenzene
SMILESCC[S@](=O)c1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t11-/m0/s1
InChIKeyHMNZWRINAXKQRI-NSHDSACASA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465
ethylsulfinylbenzene;palladium
CID 174712422
2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
CID 64716915
1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
CID 106732610
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
4-ethylsulfinyl-2-fluorophenol
CID 91250564
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
CID 64716279
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-ethylsulfinyl]-4-fluorobenzene?
The IUPAC name of 1-[(S)-ethylsulfinyl]-4-fluorobenzene (CID 92979290) is 1-[(S)-ethylsulfinyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(S)-ethylsulfinyl]-4-fluorobenzene?
The canonical SMILES for 1-[(S)-ethylsulfinyl]-4-fluorobenzene is CC[S@](=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(S)-ethylsulfinyl]-4-fluorobenzene?
The InChIKey is HMNZWRINAXKQRI-NSHDSACASA-N. The full InChI is InChI=1S/C8H9FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(S)-ethylsulfinyl]-4-fluorobenzene?
1-[(S)-ethylsulfinyl]-4-fluorobenzene has a molecular weight of 172.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-ethylsulfinyl]-4-fluorobenzene is sourced from PubChem (CID 92979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).