[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate

C11H15BF4OS — CID 134996374

IUPAC[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate
SMILESCO/C(=C/[S+](C)C)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C11H15OS.BF4/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1/b11-9+;
InChIKeyKWGIQPFHHQYNFK-LBEJWNQZSA-N
MW282.11 g/mol
LogP3.81
Rot. Bonds3

About [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate

[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate (PubChem CID 134996374) has the molecular formula C11H15BF4OS and a molecular weight of 282.11 g/mol. Its IUPAC name is [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate.

Molecular Properties

Compound Name[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate
PubChem CID134996374
Molecular FormulaC11H15BF4OS
Molecular Weight282.11 g/mol
Exact Mass282.09
IUPAC Name[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate
SMILESCO/C(=C/[S+](C)C)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C11H15OS.BF4/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1/b11-9+;
InChIKeyKWGIQPFHHQYNFK-LBEJWNQZSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate?
The IUPAC name of [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate (CID 134996374) is [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate.
What is the SMILES notation for [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate?
The canonical SMILES for [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate is CO/C(=C/[S+](C)C)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate?
The InChIKey is KWGIQPFHHQYNFK-LBEJWNQZSA-N. The full InChI is InChI=1S/C11H15OS.BF4/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1/b11-9+;.
What are the key properties of [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate?
[(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate has a molecular weight of 282.11 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methoxy-2-phenylethenyl]-dimethylsulfanium tetrafluoroborate is sourced from PubChem (CID 134996374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).