propane;sulfurous acid

C3H10O3S — CID 20501133

IUPACpropane;sulfurous acid
SMILESCCC.O=S(O)O
InChIInChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3)
InChIKeyJOVUDNOBNHLLNN-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.10
Rot. Bonds

About propane;sulfurous acid

propane;sulfurous acid (PubChem CID 20501133) has the molecular formula C3H10O3S and a molecular weight of 126.18 g/mol. Its IUPAC name is propane;sulfurous acid.

Molecular Properties

Compound Namepropane;sulfurous acid
PubChem CID20501133
Molecular FormulaC3H10O3S
Molecular Weight126.18 g/mol
Exact Mass126.04
IUPAC Namepropane;sulfurous acid
SMILESCCC.O=S(O)O
InChIInChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3)
InChIKeyJOVUDNOBNHLLNN-UHFFFAOYSA-N
XLogP1.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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;sulfurous acid?
The IUPAC name of propane;sulfurous acid (CID 20501133) is propane;sulfurous acid.
What is the SMILES notation for propane;sulfurous acid?
The canonical SMILES for propane;sulfurous acid is CCC.O=S(O)O.
What is the InChIKey of propane;sulfurous acid?
The InChIKey is JOVUDNOBNHLLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.H2O3S/c1-3-2;1-4(2)3/h3H2,1-2H3;(H2,1,2,3).
What are the key properties of propane;sulfurous acid?
propane;sulfurous acid has a molecular weight of 126.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;sulfurous acid is sourced from PubChem (CID 20501133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).