propan-2-ol;sulfur trioxide

C3H8O4S — CID 174853571

IUPACpropan-2-ol;sulfur trioxide
SMILESCC(C)O.O=S(=O)=O
InChIInChI=1S/C3H8O.O3S/c1-3(2)4;1-4(2)3/h3-4H,1-2H3;
InChIKeyHGWDQTFISUPWGA-UHFFFAOYSA-N
MW140.16 g/mol
LogP-0.62
Rot. Bonds

About propan-2-ol;sulfur trioxide

propan-2-ol;sulfur trioxide (PubChem CID 174853571) has the molecular formula C3H8O4S and a molecular weight of 140.16 g/mol. Its IUPAC name is propan-2-ol;sulfur trioxide.

Molecular Properties

Compound Namepropan-2-ol;sulfur trioxide
PubChem CID174853571
Molecular FormulaC3H8O4S
Molecular Weight140.16 g/mol
Exact Mass140.01
IUPAC Namepropan-2-ol;sulfur trioxide
SMILESCC(C)O.O=S(=O)=O
InChIInChI=1S/C3H8O.O3S/c1-3(2)4;1-4(2)3/h3-4H,1-2H3;
InChIKeyHGWDQTFISUPWGA-UHFFFAOYSA-N
XLogP-0.62
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;sulfur trioxide?
The IUPAC name of propan-2-ol;sulfur trioxide (CID 174853571) is propan-2-ol;sulfur trioxide.
What is the SMILES notation for propan-2-ol;sulfur trioxide?
The canonical SMILES for propan-2-ol;sulfur trioxide is CC(C)O.O=S(=O)=O.
What is the InChIKey of propan-2-ol;sulfur trioxide?
The InChIKey is HGWDQTFISUPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.O3S/c1-3(2)4;1-4(2)3/h3-4H,1-2H3;.
What are the key properties of propan-2-ol;sulfur trioxide?
propan-2-ol;sulfur trioxide has a molecular weight of 140.16 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;sulfur trioxide is sourced from PubChem (CID 174853571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).