potassium;benzene;ethenyl sulfate

C8H9KO4S — CID 174749179

IUPACpotassium;benzene;ethenyl sulfate
SMILESC=COS(=O)(=O)[O-].[K+].c1ccccc1
InChIInChI=1S/C6H6.C2H4O4S.K/c1-2-4-6-5-3-1;1-2-6-7(3,4)5;/h1-6H;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyOGWXXDNMNGQULX-UHFFFAOYSA-M
MW240.32 g/mol
LogP-1.70
Rot. Bonds2

About potassium;benzene;ethenyl sulfate

potassium;benzene;ethenyl sulfate (PubChem CID 174749179) has the molecular formula C8H9KO4S and a molecular weight of 240.32 g/mol. Its IUPAC name is potassium;benzene;ethenyl sulfate.

Molecular Properties

Compound Namepotassium;benzene;ethenyl sulfate
PubChem CID174749179
Molecular FormulaC8H9KO4S
Molecular Weight240.32 g/mol
Exact Mass239.99
IUPAC Namepotassium;benzene;ethenyl sulfate
SMILESC=COS(=O)(=O)[O-].[K+].c1ccccc1
InChIInChI=1S/C6H6.C2H4O4S.K/c1-2-4-6-5-3-1;1-2-6-7(3,4)5;/h1-6H;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyOGWXXDNMNGQULX-UHFFFAOYSA-M
XLogP-1.70
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

CID 88835909
CID 88835909
CID 87702131
CID 87702131
ethenoxyethene;ethenyl benzenesulfonate
CID 175360719
ethenyl phenylmethanesulfonate
CID 54312072
potassium ethenesulfonate
CID 23693598
potassium 2-ethenoxybenzenesulfonate
CID 23696775
3-ethenoxysulfonyl-2-methylprop-2-enoic acid
CID 88693842
ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 87786187
dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
lithium prop-2-enyl sulfate
CID 87403119
ethenyl 2-phenylethenesulfonate;styrene
CID 174440573
lithium;potassium;sulfonatooxy sulfate
CID 175555490

Frequently Asked Questions

What is the IUPAC name of potassium;benzene;ethenyl sulfate?
The IUPAC name of potassium;benzene;ethenyl sulfate (CID 174749179) is potassium;benzene;ethenyl sulfate.
What is the SMILES notation for potassium;benzene;ethenyl sulfate?
The canonical SMILES for potassium;benzene;ethenyl sulfate is C=COS(=O)(=O)[O-].[K+].c1ccccc1.
What is the InChIKey of potassium;benzene;ethenyl sulfate?
The InChIKey is OGWXXDNMNGQULX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6.C2H4O4S.K/c1-2-4-6-5-3-1;1-2-6-7(3,4)5;/h1-6H;2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of potassium;benzene;ethenyl sulfate?
potassium;benzene;ethenyl sulfate has a molecular weight of 240.32 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzene;ethenyl sulfate is sourced from PubChem (CID 174749179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).