hydroxy(oxo)sulfanium;propane

C3H9O2S+ — CID 172741577

IUPAChydroxy(oxo)sulfanium;propane
SMILESCCC.O=[S+]O
InChIInChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;/p+1
InChIKeyJEANIDMDJGVDAT-UHFFFAOYSA-O
MW109.17 g/mol
LogP1.30
Rot. Bonds

About hydroxy(oxo)sulfanium;propane

hydroxy(oxo)sulfanium;propane (PubChem CID 172741577) has the molecular formula C3H9O2S+ and a molecular weight of 109.17 g/mol. Its IUPAC name is hydroxy(oxo)sulfanium;propane.

Molecular Properties

Compound Namehydroxy(oxo)sulfanium;propane
PubChem CID172741577
Molecular FormulaC3H9O2S+
Molecular Weight109.17 g/mol
Exact Mass109.03
IUPAC Namehydroxy(oxo)sulfanium;propane
SMILESCCC.O=[S+]O
InChIInChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;/p+1
InChIKeyJEANIDMDJGVDAT-UHFFFAOYSA-O
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)sulfanium;propane?
The IUPAC name of hydroxy(oxo)sulfanium;propane (CID 172741577) is hydroxy(oxo)sulfanium;propane.
What is the SMILES notation for hydroxy(oxo)sulfanium;propane?
The canonical SMILES for hydroxy(oxo)sulfanium;propane is CCC.O=[S+]O.
What is the InChIKey of hydroxy(oxo)sulfanium;propane?
The InChIKey is JEANIDMDJGVDAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;/p+1.
What are the key properties of hydroxy(oxo)sulfanium;propane?
hydroxy(oxo)sulfanium;propane has a molecular weight of 109.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)sulfanium;propane is sourced from PubChem (CID 172741577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).