sodium propyl sulfite

C3H7NaO3S — CID 140992330

IUPACsodium propyl sulfite
SMILESCCCOS(=O)[O-].[Na+]
InChIInChI=1S/C3H8O3S.Na/c1-2-3-6-7(4)5;/h2-3H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyKZHYXZOVDQIDRI-UHFFFAOYSA-M
MW146.14 g/mol
LogP-2.79
Rot. Bonds3

About sodium propyl sulfite

sodium propyl sulfite (PubChem CID 140992330) has the molecular formula C3H7NaO3S and a molecular weight of 146.14 g/mol. Its IUPAC name is sodium propyl sulfite.

Molecular Properties

Compound Namesodium propyl sulfite
PubChem CID140992330
Molecular FormulaC3H7NaO3S
Molecular Weight146.14 g/mol
Exact Mass146.00
IUPAC Namesodium propyl sulfite
SMILESCCCOS(=O)[O-].[Na+]
InChIInChI=1S/C3H8O3S.Na/c1-2-3-6-7(4)5;/h2-3H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyKZHYXZOVDQIDRI-UHFFFAOYSA-M
XLogP-2.79
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-2.79
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 sodium propyl sulfite?
The IUPAC name of sodium propyl sulfite (CID 140992330) is sodium propyl sulfite.
What is the SMILES notation for sodium propyl sulfite?
The canonical SMILES for sodium propyl sulfite is CCCOS(=O)[O-].[Na+].
What is the InChIKey of sodium propyl sulfite?
The InChIKey is KZHYXZOVDQIDRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S.Na/c1-2-3-6-7(4)5;/h2-3H2,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium propyl sulfite?
sodium propyl sulfite has a molecular weight of 146.14 g/mol, XLogP of -2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium propyl sulfite is sourced from PubChem (CID 140992330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).