1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene

C12H15FOS — CID 10585341

IUPAC1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
SMILESCCC/C=C(\F)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C12H15FOS/c1-3-4-5-12(13)15(14)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5+/t15-/m0/s1
InChIKeyQETBNUIIBNSMCD-LYOQKUPSSA-N
MW226.32 g/mol
LogP3.71
Rot. Bonds4

About 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene

1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene (PubChem CID 10585341) has the molecular formula C12H15FOS and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
PubChem CID10585341
Molecular FormulaC12H15FOS
Molecular Weight226.32 g/mol
Exact Mass226.08
IUPAC Name1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
SMILESCCC/C=C(\F)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C12H15FOS/c1-3-4-5-12(13)15(14)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5+/t15-/m0/s1
InChIKeyQETBNUIIBNSMCD-LYOQKUPSSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene?
The IUPAC name of 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene (CID 10585341) is 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene.
What is the SMILES notation for 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene?
The canonical SMILES for 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene is CCC/C=C(\F)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene?
The InChIKey is QETBNUIIBNSMCD-LYOQKUPSSA-N. The full InChI is InChI=1S/C12H15FOS/c1-3-4-5-12(13)15(14)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5+/t15-/m0/s1.
What are the key properties of 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene?
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene has a molecular weight of 226.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene is sourced from PubChem (CID 10585341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).