1-cyclohexylethoxy(diphenyl)sulfanium

C20H25OS+ — CID 163485741

IUPAC1-cyclohexylethoxy(diphenyl)sulfanium
SMILESCC(O[S+](c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H25OS/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/q+1
InChIKeyCIJJMGSSZAUIQD-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.62
Rot. Bonds5

About 1-cyclohexylethoxy(diphenyl)sulfanium

1-cyclohexylethoxy(diphenyl)sulfanium (PubChem CID 163485741) has the molecular formula C20H25OS+ and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-cyclohexylethoxy(diphenyl)sulfanium.

Molecular Properties

Compound Name1-cyclohexylethoxy(diphenyl)sulfanium
PubChem CID163485741
Molecular FormulaC20H25OS+
Molecular Weight313.49 g/mol
Exact Mass313.16
IUPAC Name1-cyclohexylethoxy(diphenyl)sulfanium
SMILESCC(O[S+](c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H25OS/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/q+1
InChIKeyCIJJMGSSZAUIQD-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexylethoxy(diphenyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
(1R,2S)-1-cyclohexyl-2-phenylsulfanylheptan-1-ol
CID 13394954
(1S,2S)-2-methyl-1-(1-phenylsulfanylcyclohexyl)propane-1,3-diol
CID 13542714
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
2-Cyclohexylethoxysulfanylbenzene
CID 85780715
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol
CID 134934344
3-[Bis(phenylsulfanyl)methyl]-2-pentyloxolane
CID 135021690
3-[Bis(phenylsulfanyl)methyl]-2-propyloxolane
CID 135022363
(1S,2R)-1-cyclohexyl-3-phenyl-2-phenylsulfanylpropan-1-ol
CID 135032118
(1S,2R)-1-cyclohexyl-2-phenylsulfanylpent-4-en-1-ol
CID 135043545

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethoxy(diphenyl)sulfanium?
The IUPAC name of 1-cyclohexylethoxy(diphenyl)sulfanium (CID 163485741) is 1-cyclohexylethoxy(diphenyl)sulfanium.
What is the SMILES notation for 1-cyclohexylethoxy(diphenyl)sulfanium?
The canonical SMILES for 1-cyclohexylethoxy(diphenyl)sulfanium is CC(O[S+](c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethoxy(diphenyl)sulfanium?
The InChIKey is CIJJMGSSZAUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OS/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3/q+1.
What are the key properties of 1-cyclohexylethoxy(diphenyl)sulfanium?
1-cyclohexylethoxy(diphenyl)sulfanium has a molecular weight of 313.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethoxy(diphenyl)sulfanium is sourced from PubChem (CID 163485741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).