dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium

C6H15OS+ — CID 87072585

IUPACdimethyl-[(2-methylpropan-2-yl)oxy]sulfanium
SMILESC[S+](C)OC(C)(C)C
InChIInChI=1S/C6H15OS/c1-6(2,3)7-8(4)5/h1-5H3/q+1
InChIKeyCZBZQVYBDZQKQW-UHFFFAOYSA-N
MW135.25 g/mol
LogP1.59
Rot. Bonds1

About dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium

dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium (PubChem CID 87072585) has the molecular formula C6H15OS+ and a molecular weight of 135.25 g/mol. Its IUPAC name is dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium.

Molecular Properties

Compound Namedimethyl-[(2-methylpropan-2-yl)oxy]sulfanium
PubChem CID87072585
Molecular FormulaC6H15OS+
Molecular Weight135.25 g/mol
Exact Mass135.08
IUPAC Namedimethyl-[(2-methylpropan-2-yl)oxy]sulfanium
SMILESC[S+](C)OC(C)(C)C
InChIInChI=1S/C6H15OS/c1-6(2,3)7-8(4)5/h1-5H3/q+1
InChIKeyCZBZQVYBDZQKQW-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.25
LogP ≤ 51.59
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 dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium?
The IUPAC name of dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium (CID 87072585) is dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium.
What is the SMILES notation for dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium?
The canonical SMILES for dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium is C[S+](C)OC(C)(C)C.
What is the InChIKey of dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium?
The InChIKey is CZBZQVYBDZQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15OS/c1-6(2,3)7-8(4)5/h1-5H3/q+1.
What are the key properties of dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium?
dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium has a molecular weight of 135.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-methylpropan-2-yl)oxy]sulfanium is sourced from PubChem (CID 87072585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).