cesium 2-ethenylbenzenesulfonate

C8H7CsO3S — CID 87464479

IUPACcesium 2-ethenylbenzenesulfonate
SMILESC=Cc1ccccc1S(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C8H8O3S.Cs/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InChIKeyFYUYOJLFWVNGMQ-UHFFFAOYSA-M
MW316.11 g/mol
LogP-1.76
Rot. Bonds2

About cesium 2-ethenylbenzenesulfonate

cesium 2-ethenylbenzenesulfonate (PubChem CID 87464479) has the molecular formula C8H7CsO3S and a molecular weight of 316.11 g/mol. Its IUPAC name is cesium 2-ethenylbenzenesulfonate.

Molecular Properties

Compound Namecesium 2-ethenylbenzenesulfonate
PubChem CID87464479
Molecular FormulaC8H7CsO3S
Molecular Weight316.11 g/mol
Exact Mass315.92
IUPAC Namecesium 2-ethenylbenzenesulfonate
SMILESC=Cc1ccccc1S(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C8H8O3S.Cs/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InChIKeyFYUYOJLFWVNGMQ-UHFFFAOYSA-M
XLogP-1.76
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 5-1.76
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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Related Compounds

2-ethenylbenzenesulfonic acid
CID 161490655
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
sodium 3-ethenyl-2-ethylbenzenesulfonate
CID 88933140
tetrasodium bis(2-[2-amino-2-(2-sulfonatophenyl)ethenyl]benzenesulfonate)
CID 173446389
potassium 2-ethenoxybenzenesulfonate
CID 23696775
2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
ethenyl 2-ethenylbenzenesulfonate;styrene
CID 174365120
sodium;2-ethenyl-3-methylbenzenesulfonate;hydrate
CID 141296365
1,2-bis(ethenyl)benzene;platinum
CID 175428021
CID 67878092
CID 67878092
sodium;formaldehyde;2-hydroxybenzenesulfonate
CID 87657944
2-ethenylbenzenesulfonic acid;3-ethylpentan-3-amine
CID 173333892

Frequently Asked Questions

What is the IUPAC name of cesium 2-ethenylbenzenesulfonate?
The IUPAC name of cesium 2-ethenylbenzenesulfonate (CID 87464479) is cesium 2-ethenylbenzenesulfonate.
What is the SMILES notation for cesium 2-ethenylbenzenesulfonate?
The canonical SMILES for cesium 2-ethenylbenzenesulfonate is C=Cc1ccccc1S(=O)(=O)[O-].[Cs+].
What is the InChIKey of cesium 2-ethenylbenzenesulfonate?
The InChIKey is FYUYOJLFWVNGMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3S.Cs/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of cesium 2-ethenylbenzenesulfonate?
cesium 2-ethenylbenzenesulfonate has a molecular weight of 316.11 g/mol, XLogP of -1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-ethenylbenzenesulfonate is sourced from PubChem (CID 87464479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).