[(E)-2-methylsulfanylbut-1-enyl]benzene

C11H14S — CID 134994915

IUPAC[(E)-2-methylsulfanylbut-1-enyl]benzene
SMILESCC/C(=C\c1ccccc1)SC
InChIInChI=1S/C11H14S/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKeyUPWUCFZVDKPKCD-PKNBQFBNSA-N
MW178.30 g/mol
LogP3.80
Rot. Bonds3

About [(E)-2-methylsulfanylbut-1-enyl]benzene

[(E)-2-methylsulfanylbut-1-enyl]benzene (PubChem CID 134994915) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is [(E)-2-methylsulfanylbut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-methylsulfanylbut-1-enyl]benzene
PubChem CID134994915
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name[(E)-2-methylsulfanylbut-1-enyl]benzene
SMILESCC/C(=C\c1ccccc1)SC
InChIInChI=1S/C11H14S/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKeyUPWUCFZVDKPKCD-PKNBQFBNSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
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2-chloropent-1-enylbenzene
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2-(chloromethyl)but-1-enylbenzene
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[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
CID 134987860
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
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2,2-dibromo(113C)ethenylbenzene
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[(Z)-2-benzylsulfanyloct-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylsulfanylbut-1-enyl]benzene?
The IUPAC name of [(E)-2-methylsulfanylbut-1-enyl]benzene (CID 134994915) is [(E)-2-methylsulfanylbut-1-enyl]benzene.
What is the SMILES notation for [(E)-2-methylsulfanylbut-1-enyl]benzene?
The canonical SMILES for [(E)-2-methylsulfanylbut-1-enyl]benzene is CC/C(=C\c1ccccc1)SC.
What is the InChIKey of [(E)-2-methylsulfanylbut-1-enyl]benzene?
The InChIKey is UPWUCFZVDKPKCD-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H14S/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+.
What are the key properties of [(E)-2-methylsulfanylbut-1-enyl]benzene?
[(E)-2-methylsulfanylbut-1-enyl]benzene has a molecular weight of 178.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylsulfanylbut-1-enyl]benzene is sourced from PubChem (CID 134994915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).