oxo(2-trimethylsilylethyl)sulfanium

C5H13OSSi+ — CID 174981979

IUPACoxo(2-trimethylsilylethyl)sulfanium
SMILESC[Si](C)(C)CC[S+]=O
InChIInChI=1S/C5H13OSSi/c1-8(2,3)5-4-7-6/h4-5H2,1-3H3/q+1
InChIKeyZDNUPQQVIZLULT-UHFFFAOYSA-N
MW149.31 g/mol
LogP1.75
Rot. Bonds3

About oxo(2-trimethylsilylethyl)sulfanium

oxo(2-trimethylsilylethyl)sulfanium (PubChem CID 174981979) has the molecular formula C5H13OSSi+ and a molecular weight of 149.31 g/mol. Its IUPAC name is oxo(2-trimethylsilylethyl)sulfanium.

Molecular Properties

Compound Nameoxo(2-trimethylsilylethyl)sulfanium
PubChem CID174981979
Molecular FormulaC5H13OSSi+
Molecular Weight149.31 g/mol
Exact Mass149.05
IUPAC Nameoxo(2-trimethylsilylethyl)sulfanium
SMILESC[Si](C)(C)CC[S+]=O
InChIInChI=1S/C5H13OSSi/c1-8(2,3)5-4-7-6/h4-5H2,1-3H3/q+1
InChIKeyZDNUPQQVIZLULT-UHFFFAOYSA-N
XLogP1.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo(2-trimethylsilylethyl)sulfanium?
The IUPAC name of oxo(2-trimethylsilylethyl)sulfanium (CID 174981979) is oxo(2-trimethylsilylethyl)sulfanium.
What is the SMILES notation for oxo(2-trimethylsilylethyl)sulfanium?
The canonical SMILES for oxo(2-trimethylsilylethyl)sulfanium is C[Si](C)(C)CC[S+]=O.
What is the InChIKey of oxo(2-trimethylsilylethyl)sulfanium?
The InChIKey is ZDNUPQQVIZLULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OSSi/c1-8(2,3)5-4-7-6/h4-5H2,1-3H3/q+1.
What are the key properties of oxo(2-trimethylsilylethyl)sulfanium?
oxo(2-trimethylsilylethyl)sulfanium has a molecular weight of 149.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(2-trimethylsilylethyl)sulfanium is sourced from PubChem (CID 174981979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).