potassium;2-butylbenzenesulfonic acid;hydride

C10H15KO3S — CID 173092606

IUPACpotassium;2-butylbenzenesulfonic acid;hydride
SMILESCCCCc1ccccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H14O3S.K.H/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13;;/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyALXRXAGDYGXMNV-UHFFFAOYSA-N
MW254.39 g/mol
LogP-0.61
Rot. Bonds4

About potassium;2-butylbenzenesulfonic acid;hydride

potassium;2-butylbenzenesulfonic acid;hydride (PubChem CID 173092606) has the molecular formula C10H15KO3S and a molecular weight of 254.39 g/mol. Its IUPAC name is potassium;2-butylbenzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2-butylbenzenesulfonic acid;hydride
PubChem CID173092606
Molecular FormulaC10H15KO3S
Molecular Weight254.39 g/mol
Exact Mass254.04
IUPAC Namepotassium;2-butylbenzenesulfonic acid;hydride
SMILESCCCCc1ccccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H14O3S.K.H/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13;;/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyALXRXAGDYGXMNV-UHFFFAOYSA-N
XLogP-0.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;2-octylbenzenesulfonic acid
CID 175405346
sodium;2-hexadecylbenzenesulfonic acid;hydride
CID 173023486
2-docosylbenzenesulfonic acid
CID 14818387
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
cadmium;2-dodecylbenzenesulfonic acid
CID 88779512
sodium 2-decylbenzenesulfonic acid
CID 23072893
2-dodecylbenzenesulfonic acid;iron
CID 87235143
2-dodecylbenzenesulfonic acid;methane
CID 160798835
2-dodecylbenzenesulfonic acid;gadolinium
CID 174982312
dimagnesium;carbonic acid;2-dodecylbenzenesulfonic acid;hydride
CID 173439099
2-dodecylbenzenesulfonic acid;tetradecylphosphane
CID 173056840
2-[12-(octylamino)dodecyl]benzenesulfonic acid
CID 71371214

Frequently Asked Questions

What is the IUPAC name of potassium;2-butylbenzenesulfonic acid;hydride?
The IUPAC name of potassium;2-butylbenzenesulfonic acid;hydride (CID 173092606) is potassium;2-butylbenzenesulfonic acid;hydride.
What is the SMILES notation for potassium;2-butylbenzenesulfonic acid;hydride?
The canonical SMILES for potassium;2-butylbenzenesulfonic acid;hydride is CCCCc1ccccc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;2-butylbenzenesulfonic acid;hydride?
The InChIKey is ALXRXAGDYGXMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S.K.H/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13;;/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13);;/q;+1;-1.
What are the key properties of potassium;2-butylbenzenesulfonic acid;hydride?
potassium;2-butylbenzenesulfonic acid;hydride has a molecular weight of 254.39 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-butylbenzenesulfonic acid;hydride is sourced from PubChem (CID 173092606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).