potassium;ethenesulfonic acid;2-phenylethenesulfonate

C10H11KO6S2 — CID 172779366

IUPACpotassium;ethenesulfonic acid;2-phenylethenesulfonate
SMILESC=CS(=O)(=O)O.O=S(=O)([O-])C=Cc1ccccc1.[K+]
InChIInChI=1S/C8H8O3S.C2H4O3S.K/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-6(3,4)5;/h1-7H,(H,9,10,11);2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyOAVVYJCDFBPZBK-UHFFFAOYSA-M
MW330.42 g/mol
LogP-1.78
Rot. Bonds3

About potassium;ethenesulfonic acid;2-phenylethenesulfonate

potassium;ethenesulfonic acid;2-phenylethenesulfonate (PubChem CID 172779366) has the molecular formula C10H11KO6S2 and a molecular weight of 330.42 g/mol. Its IUPAC name is potassium;ethenesulfonic acid;2-phenylethenesulfonate.

Molecular Properties

Compound Namepotassium;ethenesulfonic acid;2-phenylethenesulfonate
PubChem CID172779366
Molecular FormulaC10H11KO6S2
Molecular Weight330.42 g/mol
Exact Mass329.96
IUPAC Namepotassium;ethenesulfonic acid;2-phenylethenesulfonate
SMILESC=CS(=O)(=O)O.O=S(=O)([O-])C=Cc1ccccc1.[K+]
InChIInChI=1S/C8H8O3S.C2H4O3S.K/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-6(3,4)5;/h1-7H,(H,9,10,11);2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyOAVVYJCDFBPZBK-UHFFFAOYSA-M
XLogP-1.78
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 161089433
CID 161089433
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
sodium;buta-1,3-diene;2-methylbuta-1,3-diene;2-phenylethenesulfonate
CID 173352414
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083
sodium;2-methylbuta-1,3-diene;2-phenylethenesulfonate;styrene
CID 159389985
disodium;but-3-enoate;2-phenylethenesulfonate
CID 173243903
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
sodium;ethenyl acetate;2-phenylethenesulfonate
CID 159801460
2-phenylethenesulfonic acid;pyridine
CID 173034936
2-ethenylpyridine;2-phenylethenesulfonic acid
CID 88722678
2-methylprop-2-enamide;2-phenylethenesulfonic acid
CID 146593099

Frequently Asked Questions

What is the IUPAC name of potassium;ethenesulfonic acid;2-phenylethenesulfonate?
The IUPAC name of potassium;ethenesulfonic acid;2-phenylethenesulfonate (CID 172779366) is potassium;ethenesulfonic acid;2-phenylethenesulfonate.
What is the SMILES notation for potassium;ethenesulfonic acid;2-phenylethenesulfonate?
The canonical SMILES for potassium;ethenesulfonic acid;2-phenylethenesulfonate is C=CS(=O)(=O)O.O=S(=O)([O-])C=Cc1ccccc1.[K+].
What is the InChIKey of potassium;ethenesulfonic acid;2-phenylethenesulfonate?
The InChIKey is OAVVYJCDFBPZBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3S.C2H4O3S.K/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-6(3,4)5;/h1-7H,(H,9,10,11);2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of potassium;ethenesulfonic acid;2-phenylethenesulfonate?
potassium;ethenesulfonic acid;2-phenylethenesulfonate has a molecular weight of 330.42 g/mol, XLogP of -1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethenesulfonic acid;2-phenylethenesulfonate is sourced from PubChem (CID 172779366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).