prop-2-enylperoxy sulfite

C3H5O5S- — CID 91802886

IUPACprop-2-enylperoxy sulfite
SMILESC=CCOOOS(=O)[O-]
InChIInChI=1S/C3H6O5S/c1-2-3-6-7-8-9(4)5/h2H,1,3H2,(H,4,5)/p-1
InChIKeyVCGWPKAUURDKBS-UHFFFAOYSA-M
MW153.13 g/mol
LogP-0.15
Rot. Bonds5

About prop-2-enylperoxy sulfite

prop-2-enylperoxy sulfite (PubChem CID 91802886) has the molecular formula C3H5O5S- and a molecular weight of 153.13 g/mol. Its IUPAC name is prop-2-enylperoxy sulfite.

Molecular Properties

Compound Nameprop-2-enylperoxy sulfite
PubChem CID91802886
Molecular FormulaC3H5O5S-
Molecular Weight153.13 g/mol
Exact Mass152.99
IUPAC Nameprop-2-enylperoxy sulfite
SMILESC=CCOOOS(=O)[O-]
InChIInChI=1S/C3H6O5S/c1-2-3-6-7-8-9(4)5/h2H,1,3H2,(H,4,5)/p-1
InChIKeyVCGWPKAUURDKBS-UHFFFAOYSA-M
XLogP-0.15
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylperoxy sulfite?
The IUPAC name of prop-2-enylperoxy sulfite (CID 91802886) is prop-2-enylperoxy sulfite.
What is the SMILES notation for prop-2-enylperoxy sulfite?
The canonical SMILES for prop-2-enylperoxy sulfite is C=CCOOOS(=O)[O-].
What is the InChIKey of prop-2-enylperoxy sulfite?
The InChIKey is VCGWPKAUURDKBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O5S/c1-2-3-6-7-8-9(4)5/h2H,1,3H2,(H,4,5)/p-1.
What are the key properties of prop-2-enylperoxy sulfite?
prop-2-enylperoxy sulfite has a molecular weight of 153.13 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylperoxy sulfite is sourced from PubChem (CID 91802886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).