dimethyl(2-methylpropyl)sulfanium

C6H15S+ — CID 5325327

IUPACdimethyl(2-methylpropyl)sulfanium
SMILESCC(C)C[S+](C)C
InChIInChI=1S/C6H15S/c1-6(2)5-7(3)4/h6H,5H2,1-4H3/q+1
InChIKeyVSVZHOIUVOAQTJ-UHFFFAOYSA-N
MW119.25 g/mol
LogP1.52
Rot. Bonds2

About dimethyl(2-methylpropyl)sulfanium

dimethyl(2-methylpropyl)sulfanium (PubChem CID 5325327) has the molecular formula C6H15S+ and a molecular weight of 119.25 g/mol. Its IUPAC name is dimethyl(2-methylpropyl)sulfanium.

Molecular Properties

Compound Namedimethyl(2-methylpropyl)sulfanium
PubChem CID5325327
Molecular FormulaC6H15S+
Molecular Weight119.25 g/mol
Exact Mass119.09
IUPAC Namedimethyl(2-methylpropyl)sulfanium
SMILESCC(C)C[S+](C)C
InChIInChI=1S/C6H15S/c1-6(2)5-7(3)4/h6H,5H2,1-4H3/q+1
InChIKeyVSVZHOIUVOAQTJ-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylpropyl)sulfanium?
The IUPAC name of dimethyl(2-methylpropyl)sulfanium (CID 5325327) is dimethyl(2-methylpropyl)sulfanium.
What is the SMILES notation for dimethyl(2-methylpropyl)sulfanium?
The canonical SMILES for dimethyl(2-methylpropyl)sulfanium is CC(C)C[S+](C)C.
What is the InChIKey of dimethyl(2-methylpropyl)sulfanium?
The InChIKey is VSVZHOIUVOAQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15S/c1-6(2)5-7(3)4/h6H,5H2,1-4H3/q+1.
What are the key properties of dimethyl(2-methylpropyl)sulfanium?
dimethyl(2-methylpropyl)sulfanium has a molecular weight of 119.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-methylpropyl)sulfanium is sourced from PubChem (CID 5325327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).