dimethyl(prop-2-ynyl)sulfanium

C5H9S+ — CID 3084403

IUPACdimethyl(prop-2-ynyl)sulfanium
SMILESC#CC[S+](C)C
InChIInChI=1S/C5H9S/c1-4-5-6(2)3/h1H,5H2,2-3H3/q+1
InChIKeyNZOCRIKNYDXGRM-UHFFFAOYSA-N
MW101.19 g/mol
LogP0.50
Rot. Bonds1

About dimethyl(prop-2-ynyl)sulfanium

dimethyl(prop-2-ynyl)sulfanium (PubChem CID 3084403) has the molecular formula C5H9S+ and a molecular weight of 101.19 g/mol. Its IUPAC name is dimethyl(prop-2-ynyl)sulfanium.

Molecular Properties

Compound Namedimethyl(prop-2-ynyl)sulfanium
PubChem CID3084403
Molecular FormulaC5H9S+
Molecular Weight101.19 g/mol
Exact Mass101.04
IUPAC Namedimethyl(prop-2-ynyl)sulfanium
SMILESC#CC[S+](C)C
InChIInChI=1S/C5H9S/c1-4-5-6(2)3/h1H,5H2,2-3H3/q+1
InChIKeyNZOCRIKNYDXGRM-UHFFFAOYSA-N
XLogP0.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(prop-2-ynyl)sulfanium?
The IUPAC name of dimethyl(prop-2-ynyl)sulfanium (CID 3084403) is dimethyl(prop-2-ynyl)sulfanium.
What is the SMILES notation for dimethyl(prop-2-ynyl)sulfanium?
The canonical SMILES for dimethyl(prop-2-ynyl)sulfanium is C#CC[S+](C)C.
What is the InChIKey of dimethyl(prop-2-ynyl)sulfanium?
The InChIKey is NZOCRIKNYDXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9S/c1-4-5-6(2)3/h1H,5H2,2-3H3/q+1.
What are the key properties of dimethyl(prop-2-ynyl)sulfanium?
dimethyl(prop-2-ynyl)sulfanium has a molecular weight of 101.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(prop-2-ynyl)sulfanium is sourced from PubChem (CID 3084403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).