disodium;propane;sulfite

C3H8Na2O3S — CID 173226555

IUPACdisodium;propane;sulfite
SMILESCCC.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H8.2Na.H2O3S/c1-3-2;;;1-4(2)3/h3H2,1-2H3;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyKYHALAZUUHROKG-UHFFFAOYSA-L
MW170.14 g/mol
LogP-5.58
Rot. Bonds

About disodium;propane;sulfite

disodium;propane;sulfite (PubChem CID 173226555) has the molecular formula C3H8Na2O3S and a molecular weight of 170.14 g/mol. Its IUPAC name is disodium;propane;sulfite.

Molecular Properties

Compound Namedisodium;propane;sulfite
PubChem CID173226555
Molecular FormulaC3H8Na2O3S
Molecular Weight170.14 g/mol
Exact Mass170.00
IUPAC Namedisodium;propane;sulfite
SMILESCCC.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H8.2Na.H2O3S/c1-3-2;;;1-4(2)3/h3H2,1-2H3;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyKYHALAZUUHROKG-UHFFFAOYSA-L
XLogP-5.58
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-5.58
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 disodium;propane;sulfite?
The IUPAC name of disodium;propane;sulfite (CID 173226555) is disodium;propane;sulfite.
What is the SMILES notation for disodium;propane;sulfite?
The canonical SMILES for disodium;propane;sulfite is CCC.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;propane;sulfite?
The InChIKey is KYHALAZUUHROKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8.2Na.H2O3S/c1-3-2;;;1-4(2)3/h3H2,1-2H3;;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of disodium;propane;sulfite?
disodium;propane;sulfite has a molecular weight of 170.14 g/mol, XLogP of -5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;propane;sulfite is sourced from PubChem (CID 173226555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).