2-methoxyprop-2-enyl(dimethyl)sulfanium

C6H13OS+ — CID 59553922

IUPAC2-methoxyprop-2-enyl(dimethyl)sulfanium
SMILESC=C(C[S+](C)C)OC
InChIInChI=1S/C6H13OS/c1-6(7-2)5-8(3)4/h1,5H2,2-4H3/q+1
InChIKeySIACSIVSZLHTRF-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.02
Rot. Bonds3

About 2-methoxyprop-2-enyl(dimethyl)sulfanium

2-methoxyprop-2-enyl(dimethyl)sulfanium (PubChem CID 59553922) has the molecular formula C6H13OS+ and a molecular weight of 133.24 g/mol. Its IUPAC name is 2-methoxyprop-2-enyl(dimethyl)sulfanium.

Molecular Properties

Compound Name2-methoxyprop-2-enyl(dimethyl)sulfanium
PubChem CID59553922
Molecular FormulaC6H13OS+
Molecular Weight133.24 g/mol
Exact Mass133.07
IUPAC Name2-methoxyprop-2-enyl(dimethyl)sulfanium
SMILESC=C(C[S+](C)C)OC
InChIInChI=1S/C6H13OS/c1-6(7-2)5-8(3)4/h1,5H2,2-4H3/q+1
InChIKeySIACSIVSZLHTRF-UHFFFAOYSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyprop-2-enyl(dimethyl)sulfanium?
The IUPAC name of 2-methoxyprop-2-enyl(dimethyl)sulfanium (CID 59553922) is 2-methoxyprop-2-enyl(dimethyl)sulfanium.
What is the SMILES notation for 2-methoxyprop-2-enyl(dimethyl)sulfanium?
The canonical SMILES for 2-methoxyprop-2-enyl(dimethyl)sulfanium is C=C(C[S+](C)C)OC.
What is the InChIKey of 2-methoxyprop-2-enyl(dimethyl)sulfanium?
The InChIKey is SIACSIVSZLHTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OS/c1-6(7-2)5-8(3)4/h1,5H2,2-4H3/q+1.
What are the key properties of 2-methoxyprop-2-enyl(dimethyl)sulfanium?
2-methoxyprop-2-enyl(dimethyl)sulfanium has a molecular weight of 133.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyprop-2-enyl(dimethyl)sulfanium is sourced from PubChem (CID 59553922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).