[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium

C22H23O2S+ — CID 139829675

IUPAC[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium
SMILESCCOCCOc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2S/c1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3/q+1
InChIKeyAQKSPAGBCYTHKK-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.20
Rot. Bonds8

About [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium

[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium (PubChem CID 139829675) has the molecular formula C22H23O2S+ and a molecular weight of 351.49 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium
PubChem CID139829675
Molecular FormulaC22H23O2S+
Molecular Weight351.49 g/mol
Exact Mass351.14
IUPAC Name[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium
SMILESCCOCCOc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2S/c1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3/q+1
InChIKeyAQKSPAGBCYTHKK-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenylsulfanium;tetrakis(2-chloro-3,4,5,6-tetrafluorophenyl)boranuide
CID 139829813
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
tris(2-butoxyphenyl)sulfanium
CID 87493432
tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]sulfanium tetrafluoroborate
CID 139829823
[2-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;tetrakis(2-chloro-3,4,5,6-tetrafluorophenyl)boranuide
CID 139829931
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
(2-butoxyphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 23133119
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium?
The IUPAC name of [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium (CID 139829675) is [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium.
What is the SMILES notation for [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium?
The canonical SMILES for [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium is CCOCCOc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium?
The InChIKey is AQKSPAGBCYTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2S/c1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3/q+1.
What are the key properties of [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium?
[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium has a molecular weight of 351.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium is sourced from PubChem (CID 139829675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).