[(E)-2-cyclohexylethenyl]-diphenylsulfanium

C20H23S+ — CID 140665581

IUPAC[(E)-2-cyclohexylethenyl]-diphenylsulfanium
SMILESC(=C/[S+](c1ccccc1)c1ccccc1)\C1CCCCC1
InChIInChI=1S/C20H23S/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-18H,1,4-5,10-11H2/q+1/b17-16+
InChIKeyWHNGRMHPCSILHZ-WUKNDPDISA-N
MW295.47 g/mol
LogP5.82
Rot. Bonds4

About [(E)-2-cyclohexylethenyl]-diphenylsulfanium

[(E)-2-cyclohexylethenyl]-diphenylsulfanium (PubChem CID 140665581) has the molecular formula C20H23S+ and a molecular weight of 295.47 g/mol. Its IUPAC name is [(E)-2-cyclohexylethenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[(E)-2-cyclohexylethenyl]-diphenylsulfanium
PubChem CID140665581
Molecular FormulaC20H23S+
Molecular Weight295.47 g/mol
Exact Mass295.15
IUPAC Name[(E)-2-cyclohexylethenyl]-diphenylsulfanium
SMILESC(=C/[S+](c1ccccc1)c1ccccc1)\C1CCCCC1
InChIInChI=1S/C20H23S/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-18H,1,4-5,10-11H2/q+1/b17-16+
InChIKeyWHNGRMHPCSILHZ-WUKNDPDISA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-cyclohexylethenyl]-triphenylsilane
CID 102404130
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
2-cyclohexylethenylcyclohexane
CID 4124459
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 73334860
1-chloro-2-[(E)-2-cyclohexylethenyl]benzene
CID 101186675
[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
CID 11138907
benzene;cyclohexanecarbaldehyde
CID 174845063
CID 159076923
CID 159076923
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595
cyclopentylmethylidene(triphenyl)-lambda5-phosphane
CID 14064941
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
CID 20724342

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexylethenyl]-diphenylsulfanium?
The IUPAC name of [(E)-2-cyclohexylethenyl]-diphenylsulfanium (CID 140665581) is [(E)-2-cyclohexylethenyl]-diphenylsulfanium.
What is the SMILES notation for [(E)-2-cyclohexylethenyl]-diphenylsulfanium?
The canonical SMILES for [(E)-2-cyclohexylethenyl]-diphenylsulfanium is C(=C/[S+](c1ccccc1)c1ccccc1)\C1CCCCC1.
What is the InChIKey of [(E)-2-cyclohexylethenyl]-diphenylsulfanium?
The InChIKey is WHNGRMHPCSILHZ-WUKNDPDISA-N. The full InChI is InChI=1S/C20H23S/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-18H,1,4-5,10-11H2/q+1/b17-16+.
What are the key properties of [(E)-2-cyclohexylethenyl]-diphenylsulfanium?
[(E)-2-cyclohexylethenyl]-diphenylsulfanium has a molecular weight of 295.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexylethenyl]-diphenylsulfanium is sourced from PubChem (CID 140665581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).