propyl sulfite

C3H7O3S- — CID 4867723

IUPACpropyl sulfite
SMILESCCCOS(=O)[O-]
InChIInChI=1S/C3H8O3S/c1-2-3-6-7(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyQAMPNIXQLSTWGU-UHFFFAOYSA-M
MW123.15 g/mol
LogP0.21
Rot. Bonds3

About propyl sulfite

propyl sulfite (PubChem CID 4867723) has the molecular formula C3H7O3S- and a molecular weight of 123.15 g/mol. Its IUPAC name is propyl sulfite.

Molecular Properties

Compound Namepropyl sulfite
PubChem CID4867723
Molecular FormulaC3H7O3S-
Molecular Weight123.15 g/mol
Exact Mass123.01
IUPAC Namepropyl sulfite
SMILESCCCOS(=O)[O-]
InChIInChI=1S/C3H8O3S/c1-2-3-6-7(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyQAMPNIXQLSTWGU-UHFFFAOYSA-M
XLogP0.21
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.21
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 propyl sulfite?
The IUPAC name of propyl sulfite (CID 4867723) is propyl sulfite.
What is the SMILES notation for propyl sulfite?
The canonical SMILES for propyl sulfite is CCCOS(=O)[O-].
What is the InChIKey of propyl sulfite?
The InChIKey is QAMPNIXQLSTWGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S/c1-2-3-6-7(4)5/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of propyl sulfite?
propyl sulfite has a molecular weight of 123.15 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl sulfite is sourced from PubChem (CID 4867723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).