1-(1-ethoxyethoxy)ethyl-diethylsulfanium

C10H23O2S+ — CID 87508381

IUPAC1-(1-ethoxyethoxy)ethyl-diethylsulfanium
SMILESCCOC(C)OC(C)[S+](CC)CC
InChIInChI=1S/C10H23O2S/c1-6-11-9(4)12-10(5)13(7-2)8-3/h9-10H,6-8H2,1-5H3/q+1
InChIKeyWNBHXWZYQXOMFE-UHFFFAOYSA-N
MW207.36 g/mol
LogP2.39
Rot. Bonds7

About 1-(1-ethoxyethoxy)ethyl-diethylsulfanium

1-(1-ethoxyethoxy)ethyl-diethylsulfanium (PubChem CID 87508381) has the molecular formula C10H23O2S+ and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)ethyl-diethylsulfanium.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)ethyl-diethylsulfanium
PubChem CID87508381
Molecular FormulaC10H23O2S+
Molecular Weight207.36 g/mol
Exact Mass207.14
IUPAC Name1-(1-ethoxyethoxy)ethyl-diethylsulfanium
SMILESCCOC(C)OC(C)[S+](CC)CC
InChIInChI=1S/C10H23O2S/c1-6-11-9(4)12-10(5)13(7-2)8-3/h9-10H,6-8H2,1-5H3/q+1
InChIKeyWNBHXWZYQXOMFE-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-(1-ethoxyethoxy)propylsilane
CID 175194078
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol
CID 97303801
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)ethyl-diethylsulfanium?
The IUPAC name of 1-(1-ethoxyethoxy)ethyl-diethylsulfanium (CID 87508381) is 1-(1-ethoxyethoxy)ethyl-diethylsulfanium.
What is the SMILES notation for 1-(1-ethoxyethoxy)ethyl-diethylsulfanium?
The canonical SMILES for 1-(1-ethoxyethoxy)ethyl-diethylsulfanium is CCOC(C)OC(C)[S+](CC)CC.
What is the InChIKey of 1-(1-ethoxyethoxy)ethyl-diethylsulfanium?
The InChIKey is WNBHXWZYQXOMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2S/c1-6-11-9(4)12-10(5)13(7-2)8-3/h9-10H,6-8H2,1-5H3/q+1.
What are the key properties of 1-(1-ethoxyethoxy)ethyl-diethylsulfanium?
1-(1-ethoxyethoxy)ethyl-diethylsulfanium has a molecular weight of 207.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)ethyl-diethylsulfanium is sourced from PubChem (CID 87508381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).