2,2-dimethylpropyl(oxo)sulfanium

C5H11OS+ — CID 159212267

IUPAC2,2-dimethylpropyl(oxo)sulfanium
SMILESCC(C)(C)C[S+]=O
InChIInChI=1S/C5H11OS/c1-5(2,3)4-7-6/h4H2,1-3H3/q+1
InChIKeyKQQDVDHCSQEUOF-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.46
Rot. Bonds1

About 2,2-dimethylpropyl(oxo)sulfanium

2,2-dimethylpropyl(oxo)sulfanium (PubChem CID 159212267) has the molecular formula C5H11OS+ and a molecular weight of 119.21 g/mol. Its IUPAC name is 2,2-dimethylpropyl(oxo)sulfanium.

Molecular Properties

Compound Name2,2-dimethylpropyl(oxo)sulfanium
PubChem CID159212267
Molecular FormulaC5H11OS+
Molecular Weight119.21 g/mol
Exact Mass119.05
IUPAC Name2,2-dimethylpropyl(oxo)sulfanium
SMILESCC(C)(C)C[S+]=O
InChIInChI=1S/C5H11OS/c1-5(2,3)4-7-6/h4H2,1-3H3/q+1
InChIKeyKQQDVDHCSQEUOF-UHFFFAOYSA-N
XLogP1.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl(oxo)sulfanium?
The IUPAC name of 2,2-dimethylpropyl(oxo)sulfanium (CID 159212267) is 2,2-dimethylpropyl(oxo)sulfanium.
What is the SMILES notation for 2,2-dimethylpropyl(oxo)sulfanium?
The canonical SMILES for 2,2-dimethylpropyl(oxo)sulfanium is CC(C)(C)C[S+]=O.
What is the InChIKey of 2,2-dimethylpropyl(oxo)sulfanium?
The InChIKey is KQQDVDHCSQEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OS/c1-5(2,3)4-7-6/h4H2,1-3H3/q+1.
What are the key properties of 2,2-dimethylpropyl(oxo)sulfanium?
2,2-dimethylpropyl(oxo)sulfanium has a molecular weight of 119.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl(oxo)sulfanium is sourced from PubChem (CID 159212267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).