potassium 3,5-bis(ethenyl)benzenesulfonate

C10H9KO3S — CID 140755926

IUPACpotassium 3,5-bis(ethenyl)benzenesulfonate
SMILESC=Cc1cc(C=C)cc(S(=O)(=O)[O-])c1.[K+]
InChIInChI=1S/C10H10O3S.K/c1-3-8-5-9(4-2)7-10(6-8)14(11,12)13;/h3-7H,1-2H2,(H,11,12,13);/q;+1/p-1
InChIKeyJUXCDPCYUUMKJM-UHFFFAOYSA-M
MW248.34 g/mol
LogP-1.12
Rot. Bonds3

About potassium 3,5-bis(ethenyl)benzenesulfonate

potassium 3,5-bis(ethenyl)benzenesulfonate (PubChem CID 140755926) has the molecular formula C10H9KO3S and a molecular weight of 248.34 g/mol. Its IUPAC name is potassium 3,5-bis(ethenyl)benzenesulfonate.

Molecular Properties

Compound Namepotassium 3,5-bis(ethenyl)benzenesulfonate
PubChem CID140755926
Molecular FormulaC10H9KO3S
Molecular Weight248.34 g/mol
Exact Mass247.99
IUPAC Namepotassium 3,5-bis(ethenyl)benzenesulfonate
SMILESC=Cc1cc(C=C)cc(S(=O)(=O)[O-])c1.[K+]
InChIInChI=1S/C10H10O3S.K/c1-3-8-5-9(4-2)7-10(6-8)14(11,12)13;/h3-7H,1-2H2,(H,11,12,13);/q;+1/p-1
InChIKeyJUXCDPCYUUMKJM-UHFFFAOYSA-M
XLogP-1.12
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 3,5-bis(ethenyl)benzenesulfonate?
The IUPAC name of potassium 3,5-bis(ethenyl)benzenesulfonate (CID 140755926) is potassium 3,5-bis(ethenyl)benzenesulfonate.
What is the SMILES notation for potassium 3,5-bis(ethenyl)benzenesulfonate?
The canonical SMILES for potassium 3,5-bis(ethenyl)benzenesulfonate is C=Cc1cc(C=C)cc(S(=O)(=O)[O-])c1.[K+].
What is the InChIKey of potassium 3,5-bis(ethenyl)benzenesulfonate?
The InChIKey is JUXCDPCYUUMKJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O3S.K/c1-3-8-5-9(4-2)7-10(6-8)14(11,12)13;/h3-7H,1-2H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium 3,5-bis(ethenyl)benzenesulfonate?
potassium 3,5-bis(ethenyl)benzenesulfonate has a molecular weight of 248.34 g/mol, XLogP of -1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,5-bis(ethenyl)benzenesulfonate is sourced from PubChem (CID 140755926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).