diethyl(1-nitrosooxyethyl)sulfanium

C6H14NO2S+ — CID 88832120

IUPACdiethyl(1-nitrosooxyethyl)sulfanium
SMILESCC[S+](CC)C(C)ON=O
InChIInChI=1S/C6H14NO2S/c1-4-10(5-2)6(3)9-7-8/h6H,4-5H2,1-3H3/q+1
InChIKeyQSBIUDYLHVRQJY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.69
Rot. Bonds5

About diethyl(1-nitrosooxyethyl)sulfanium

diethyl(1-nitrosooxyethyl)sulfanium (PubChem CID 88832120) has the molecular formula C6H14NO2S+ and a molecular weight of 164.25 g/mol. Its IUPAC name is diethyl(1-nitrosooxyethyl)sulfanium.

Molecular Properties

Compound Namediethyl(1-nitrosooxyethyl)sulfanium
PubChem CID88832120
Molecular FormulaC6H14NO2S+
Molecular Weight164.25 g/mol
Exact Mass164.07
IUPAC Namediethyl(1-nitrosooxyethyl)sulfanium
SMILESCC[S+](CC)C(C)ON=O
InChIInChI=1S/C6H14NO2S/c1-4-10(5-2)6(3)9-7-8/h6H,4-5H2,1-3H3/q+1
InChIKeyQSBIUDYLHVRQJY-UHFFFAOYSA-N
XLogP1.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(1-nitrosooxyethyl)sulfanium?
The IUPAC name of diethyl(1-nitrosooxyethyl)sulfanium (CID 88832120) is diethyl(1-nitrosooxyethyl)sulfanium.
What is the SMILES notation for diethyl(1-nitrosooxyethyl)sulfanium?
The canonical SMILES for diethyl(1-nitrosooxyethyl)sulfanium is CC[S+](CC)C(C)ON=O.
What is the InChIKey of diethyl(1-nitrosooxyethyl)sulfanium?
The InChIKey is QSBIUDYLHVRQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2S/c1-4-10(5-2)6(3)9-7-8/h6H,4-5H2,1-3H3/q+1.
What are the key properties of diethyl(1-nitrosooxyethyl)sulfanium?
diethyl(1-nitrosooxyethyl)sulfanium has a molecular weight of 164.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(1-nitrosooxyethyl)sulfanium is sourced from PubChem (CID 88832120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).