propane sulfite

C3H8O3S-2 — CID 21270602

IUPACpropane sulfite
SMILESCCC.O=S([O-])[O-]
InChIInChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3)/p-2
InChIKeyJOVUDNOBNHLLNN-UHFFFAOYSA-L
MW124.16 g/mol
LogP0.41
Rot. Bonds

About propane sulfite

propane sulfite (PubChem CID 21270602) has the molecular formula C3H8O3S-2 and a molecular weight of 124.16 g/mol. Its IUPAC name is propane sulfite.

Molecular Properties

Compound Namepropane sulfite
PubChem CID21270602
Molecular FormulaC3H8O3S-2
Molecular Weight124.16 g/mol
Exact Mass124.02
IUPAC Namepropane sulfite
SMILESCCC.O=S([O-])[O-]
InChIInChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3)/p-2
InChIKeyJOVUDNOBNHLLNN-UHFFFAOYSA-L
XLogP0.41
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane sulfite?
The IUPAC name of propane sulfite (CID 21270602) is propane sulfite.
What is the SMILES notation for propane sulfite?
The canonical SMILES for propane sulfite is CCC.O=S([O-])[O-].
What is the InChIKey of propane sulfite?
The InChIKey is JOVUDNOBNHLLNN-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3)/p-2.
What are the key properties of propane sulfite?
propane sulfite has a molecular weight of 124.16 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane sulfite is sourced from PubChem (CID 21270602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).