2,2-dimethoxyethyl(dimethyl)sulfanium

C6H15O2S+ — CID 154071662

IUPAC2,2-dimethoxyethyl(dimethyl)sulfanium
SMILESCOC(C[S+](C)C)OC
InChIInChI=1S/C6H15O2S/c1-7-6(8-2)5-9(3)4/h6H,5H2,1-4H3/q+1
InChIKeyBGFPQTXTUCIHTD-UHFFFAOYSA-N
MW151.25 g/mol
LogP0.48
Rot. Bonds4

About 2,2-dimethoxyethyl(dimethyl)sulfanium

2,2-dimethoxyethyl(dimethyl)sulfanium (PubChem CID 154071662) has the molecular formula C6H15O2S+ and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,2-dimethoxyethyl(dimethyl)sulfanium.

Molecular Properties

Compound Name2,2-dimethoxyethyl(dimethyl)sulfanium
PubChem CID154071662
Molecular FormulaC6H15O2S+
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name2,2-dimethoxyethyl(dimethyl)sulfanium
SMILESCOC(C[S+](C)C)OC
InChIInChI=1S/C6H15O2S/c1-7-6(8-2)5-9(3)4/h6H,5H2,1-4H3/q+1
InChIKeyBGFPQTXTUCIHTD-UHFFFAOYSA-N
XLogP0.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 50.48
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

CID 57259107
CID 57259107
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
CID 160777115
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
CID 131726685
O-(1-methoxybutyl)hydroxylamine
CID 143289201
dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
CID 174701036
CID 87143887
CID 87143887
3-iodo-1,1-dimethoxypropane
CID 11042538
2,2-dimethoxyethyl-[2-(2,2-dimethoxyethylsilyl)ethyl]silane
CID 123339404
CID 57182943
CID 57182943
magnesium;2,2-dimethoxyethanol;hydride
CID 174500323
CID 87143979
CID 87143979

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl(dimethyl)sulfanium?
The IUPAC name of 2,2-dimethoxyethyl(dimethyl)sulfanium (CID 154071662) is 2,2-dimethoxyethyl(dimethyl)sulfanium.
What is the SMILES notation for 2,2-dimethoxyethyl(dimethyl)sulfanium?
The canonical SMILES for 2,2-dimethoxyethyl(dimethyl)sulfanium is COC(C[S+](C)C)OC.
What is the InChIKey of 2,2-dimethoxyethyl(dimethyl)sulfanium?
The InChIKey is BGFPQTXTUCIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2S/c1-7-6(8-2)5-9(3)4/h6H,5H2,1-4H3/q+1.
What are the key properties of 2,2-dimethoxyethyl(dimethyl)sulfanium?
2,2-dimethoxyethyl(dimethyl)sulfanium has a molecular weight of 151.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl(dimethyl)sulfanium is sourced from PubChem (CID 154071662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).