propan-2-one;sulfur monoxide

C3H6O2S — CID 21387950

IUPACpropan-2-one;sulfur monoxide
SMILESCC(C)=O.O=S
InChIInChI=1S/C3H6O.OS/c1-3(2)4;1-2/h1-2H3;
InChIKeyZMZKRNFFYXCULH-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.26
Rot. Bonds

About propan-2-one;sulfur monoxide

propan-2-one;sulfur monoxide (PubChem CID 21387950) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is propan-2-one;sulfur monoxide.

Molecular Properties

Compound Namepropan-2-one;sulfur monoxide
PubChem CID21387950
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Namepropan-2-one;sulfur monoxide
SMILESCC(C)=O.O=S
InChIInChI=1S/C3H6O.OS/c1-3(2)4;1-2/h1-2H3;
InChIKeyZMZKRNFFYXCULH-UHFFFAOYSA-N
XLogP0.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-one;zirconium
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silver bis(propan-2-one)
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bis(sulfanylidene)molybdenum;propan-2-one
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acetylene;propan-2-one
CID 175379090
methanol;propan-2-one;dihydrate
CID 158013024
CID 5356914
CID 5356914
methanol;propan-2-one;hydrate
CID 86590524
chromium(6+);tris(oxygen(2-));propan-2-one
CID 173410195
propane-2-thione;propan-2-imine;propan-2-one
CID 160670260

Frequently Asked Questions

What is the IUPAC name of propan-2-one;sulfur monoxide?
The IUPAC name of propan-2-one;sulfur monoxide (CID 21387950) is propan-2-one;sulfur monoxide.
What is the SMILES notation for propan-2-one;sulfur monoxide?
The canonical SMILES for propan-2-one;sulfur monoxide is CC(C)=O.O=S.
What is the InChIKey of propan-2-one;sulfur monoxide?
The InChIKey is ZMZKRNFFYXCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.OS/c1-3(2)4;1-2/h1-2H3;.
What are the key properties of propan-2-one;sulfur monoxide?
propan-2-one;sulfur monoxide has a molecular weight of 106.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;sulfur monoxide is sourced from PubChem (CID 21387950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).