propane;sulfur dioxide

C3H8O2S — CID 158889385

IUPACpropane;sulfur dioxide
SMILESCCC.O=S=O
InChIInChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;
InChIKeyJEANIDMDJGVDAT-UHFFFAOYSA-N
MW108.16 g/mol
LogP0.75
Rot. Bonds

About propane;sulfur dioxide

propane;sulfur dioxide (PubChem CID 158889385) has the molecular formula C3H8O2S and a molecular weight of 108.16 g/mol. Its IUPAC name is propane;sulfur dioxide.

Molecular Properties

Compound Namepropane;sulfur dioxide
PubChem CID158889385
Molecular FormulaC3H8O2S
Molecular Weight108.16 g/mol
Exact Mass108.02
IUPAC Namepropane;sulfur dioxide
SMILESCCC.O=S=O
InChIInChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;
InChIKeyJEANIDMDJGVDAT-UHFFFAOYSA-N
XLogP0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;sulfur dioxide?
The IUPAC name of propane;sulfur dioxide (CID 158889385) is propane;sulfur dioxide.
What is the SMILES notation for propane;sulfur dioxide?
The canonical SMILES for propane;sulfur dioxide is CCC.O=S=O.
What is the InChIKey of propane;sulfur dioxide?
The InChIKey is JEANIDMDJGVDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.O2S/c2*1-3-2/h3H2,1-2H3;.
What are the key properties of propane;sulfur dioxide?
propane;sulfur dioxide has a molecular weight of 108.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;sulfur dioxide is sourced from PubChem (CID 158889385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).