dodecyl(oxo)sulfanium;methylsulfinylmethane

C14H31O2S2+ — CID 174334118

IUPACdodecyl(oxo)sulfanium;methylsulfinylmethane
SMILESCCCCCCCCCCCC[S+]=O.CS(C)=O
InChIInChI=1S/C12H25OS.C2H6OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h2-12H2,1H3;1-2H3/q+1;
InChIKeyKADYBKUWVTVTGR-UHFFFAOYSA-N
MW295.53 g/mol
LogP4.33
Rot. Bonds11

About dodecyl(oxo)sulfanium;methylsulfinylmethane

dodecyl(oxo)sulfanium;methylsulfinylmethane (PubChem CID 174334118) has the molecular formula C14H31O2S2+ and a molecular weight of 295.53 g/mol. Its IUPAC name is dodecyl(oxo)sulfanium;methylsulfinylmethane.

Molecular Properties

Compound Namedodecyl(oxo)sulfanium;methylsulfinylmethane
PubChem CID174334118
Molecular FormulaC14H31O2S2+
Molecular Weight295.53 g/mol
Exact Mass295.18
IUPAC Namedodecyl(oxo)sulfanium;methylsulfinylmethane
SMILESCCCCCCCCCCCC[S+]=O.CS(C)=O
InChIInChI=1S/C12H25OS.C2H6OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h2-12H2,1H3;1-2H3/q+1;
InChIKeyKADYBKUWVTVTGR-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxo(undecyl)sulfanium
CID 174347950
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
octane;oxo(sulfanyl)sulfanium
CID 172788887
lithium;octane;sulfite
CID 122668940
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of dodecyl(oxo)sulfanium;methylsulfinylmethane?
The IUPAC name of dodecyl(oxo)sulfanium;methylsulfinylmethane (CID 174334118) is dodecyl(oxo)sulfanium;methylsulfinylmethane.
What is the SMILES notation for dodecyl(oxo)sulfanium;methylsulfinylmethane?
The canonical SMILES for dodecyl(oxo)sulfanium;methylsulfinylmethane is CCCCCCCCCCCC[S+]=O.CS(C)=O.
What is the InChIKey of dodecyl(oxo)sulfanium;methylsulfinylmethane?
The InChIKey is KADYBKUWVTVTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OS.C2H6OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h2-12H2,1H3;1-2H3/q+1;.
What are the key properties of dodecyl(oxo)sulfanium;methylsulfinylmethane?
dodecyl(oxo)sulfanium;methylsulfinylmethane has a molecular weight of 295.53 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(oxo)sulfanium;methylsulfinylmethane is sourced from PubChem (CID 174334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).