dimethyl(2-oxopropyl)sulfanium

C5H11OS+ — CID 10998003

IUPACdimethyl(2-oxopropyl)sulfanium
SMILESCC(=O)C[S+](C)C
InChIInChI=1S/C5H11OS/c1-5(6)4-7(2)3/h4H2,1-3H3/q+1
InChIKeyPYOGRRWZKCMKFC-UHFFFAOYSA-N
MW119.21 g/mol
LogP0.45
Rot. Bonds2

About dimethyl(2-oxopropyl)sulfanium

dimethyl(2-oxopropyl)sulfanium (PubChem CID 10998003) has the molecular formula C5H11OS+ and a molecular weight of 119.21 g/mol. Its IUPAC name is dimethyl(2-oxopropyl)sulfanium.

Molecular Properties

Compound Namedimethyl(2-oxopropyl)sulfanium
PubChem CID10998003
Molecular FormulaC5H11OS+
Molecular Weight119.21 g/mol
Exact Mass119.05
IUPAC Namedimethyl(2-oxopropyl)sulfanium
SMILESCC(=O)C[S+](C)C
InChIInChI=1S/C5H11OS/c1-5(6)4-7(2)3/h4H2,1-3H3/q+1
InChIKeyPYOGRRWZKCMKFC-UHFFFAOYSA-N
XLogP0.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-oxopropyl)sulfanium;trifluoromethanesulfonate
CID 18547939
1-hydroxypropan-2-one;octahydrate
CID 173282716
CID 174537028
CID 174537028
1-hydroxypropan-2-one;methane
CID 159772503
1-hydroxypropan-2-one;hexahydrate
CID 173077690
(2-ethylsulfanyl-2-oxoethyl)-dimethylsulfanium
CID 71380765
benzene;1-hydroxypropan-2-one
CID 160632578
hexane-2,5-dione
CID 8035
Lithium pentane-2,4-dione
CID 86735745
[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
CID 45266307
tert-butyl-methyl-(2-oxopropyl)sulfanium;trifluoromethanesulfonate
CID 18547638
acetaldehyde;1-hydroxypropan-2-one
CID 159001588

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-oxopropyl)sulfanium?
The IUPAC name of dimethyl(2-oxopropyl)sulfanium (CID 10998003) is dimethyl(2-oxopropyl)sulfanium.
What is the SMILES notation for dimethyl(2-oxopropyl)sulfanium?
The canonical SMILES for dimethyl(2-oxopropyl)sulfanium is CC(=O)C[S+](C)C.
What is the InChIKey of dimethyl(2-oxopropyl)sulfanium?
The InChIKey is PYOGRRWZKCMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OS/c1-5(6)4-7(2)3/h4H2,1-3H3/q+1.
What are the key properties of dimethyl(2-oxopropyl)sulfanium?
dimethyl(2-oxopropyl)sulfanium has a molecular weight of 119.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-oxopropyl)sulfanium is sourced from PubChem (CID 10998003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).