dimethyl(2-methylbutan-2-yloxy)sulfanium

C7H17OS+ — CID 101340965

IUPACdimethyl(2-methylbutan-2-yloxy)sulfanium
SMILESCCC(C)(C)O[S+](C)C
InChIInChI=1S/C7H17OS/c1-6-7(2,3)8-9(4)5/h6H2,1-5H3/q+1
InChIKeyPJBBJLDCLAVBCZ-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.98
Rot. Bonds3

About dimethyl(2-methylbutan-2-yloxy)sulfanium

dimethyl(2-methylbutan-2-yloxy)sulfanium (PubChem CID 101340965) has the molecular formula C7H17OS+ and a molecular weight of 149.28 g/mol. Its IUPAC name is dimethyl(2-methylbutan-2-yloxy)sulfanium.

Molecular Properties

Compound Namedimethyl(2-methylbutan-2-yloxy)sulfanium
PubChem CID101340965
Molecular FormulaC7H17OS+
Molecular Weight149.28 g/mol
Exact Mass149.10
IUPAC Namedimethyl(2-methylbutan-2-yloxy)sulfanium
SMILESCCC(C)(C)O[S+](C)C
InChIInChI=1S/C7H17OS/c1-6-7(2,3)8-9(4)5/h6H2,1-5H3/q+1
InChIKeyPJBBJLDCLAVBCZ-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.98
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-methylbutan-2-yloxy)sulfanium?
The IUPAC name of dimethyl(2-methylbutan-2-yloxy)sulfanium (CID 101340965) is dimethyl(2-methylbutan-2-yloxy)sulfanium.
What is the SMILES notation for dimethyl(2-methylbutan-2-yloxy)sulfanium?
The canonical SMILES for dimethyl(2-methylbutan-2-yloxy)sulfanium is CCC(C)(C)O[S+](C)C.
What is the InChIKey of dimethyl(2-methylbutan-2-yloxy)sulfanium?
The InChIKey is PJBBJLDCLAVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OS/c1-6-7(2,3)8-9(4)5/h6H2,1-5H3/q+1.
What are the key properties of dimethyl(2-methylbutan-2-yloxy)sulfanium?
dimethyl(2-methylbutan-2-yloxy)sulfanium has a molecular weight of 149.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-methylbutan-2-yloxy)sulfanium is sourced from PubChem (CID 101340965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).