1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene

C11H14OS — CID 15250886

IUPAC1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
SMILESC/C=C/CS(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14OS/c1-3-4-9-13(12)11-7-5-10(2)6-8-11/h3-8H,9H2,1-2H3/b4-3+
InChIKeyCZAJQMJEZUAPSO-ONEGZZNKSA-N
MW194.30 g/mol
LogP2.68
Rot. Bonds3

About 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene

1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene (PubChem CID 15250886) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
PubChem CID15250886
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
SMILESC/C=C/CS(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14OS/c1-3-4-9-13(12)11-7-5-10(2)6-8-11/h3-8H,9H2,1-2H3/b4-3+
InChIKeyCZAJQMJEZUAPSO-ONEGZZNKSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544
methyl (E,2S)-2-methyl-2-[(S)-(4-methylphenyl)sulfinyl]hex-4-enoate
CID 11369510
2-[(E)-but-2-enyl]sulfinylphenol
CID 5364817
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
1-[(1R)-1-deuterio-2,2-dimethylpropyl]sulfinyl-4-methylbenzene
CID 101168371
(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 102096195
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene?
The IUPAC name of 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene (CID 15250886) is 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene is C/C=C/CS(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene?
The InChIKey is CZAJQMJEZUAPSO-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-4-9-13(12)11-7-5-10(2)6-8-11/h3-8H,9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene?
1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene has a molecular weight of 194.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene is sourced from PubChem (CID 15250886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).