zinc bis(4-ethenylbenzenesulfonate)

C16H14O6S2Zn — CID 22931380

IUPACzinc bis(4-ethenylbenzenesulfonate)
SMILESC=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Zn+2]
InChIInChI=1S/2C8H8O3S.Zn/c2*1-2-7-3-5-8(6-4-7)12(9,10)11;/h2*2-6H,1H2,(H,9,10,11);/q;;+2/p-2
InChIKeyTXGHAMMMKDELEQ-UHFFFAOYSA-L
MW431.81 g/mol
LogP2.46
Rot. Bonds4

About zinc bis(4-ethenylbenzenesulfonate)

zinc bis(4-ethenylbenzenesulfonate) (PubChem CID 22931380) has the molecular formula C16H14O6S2Zn and a molecular weight of 431.81 g/mol. Its IUPAC name is zinc bis(4-ethenylbenzenesulfonate).

Molecular Properties

Compound Namezinc bis(4-ethenylbenzenesulfonate)
PubChem CID22931380
Molecular FormulaC16H14O6S2Zn
Molecular Weight431.81 g/mol
Exact Mass429.95
IUPAC Namezinc bis(4-ethenylbenzenesulfonate)
SMILESC=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Zn+2]
InChIInChI=1S/2C8H8O3S.Zn/c2*1-2-7-3-5-8(6-4-7)12(9,10)11;/h2*2-6H,1H2,(H,9,10,11);/q;;+2/p-2
InChIKeyTXGHAMMMKDELEQ-UHFFFAOYSA-L
XLogP2.46
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725
4-ethenylbenzenesulfonate;tetraphenylphosphanium
CID 87934174
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466
potassium 3,5-bis(ethenyl)benzenesulfonate
CID 140755926
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
4-[3-(4-ethenylphenoxy)cyclohexyl]oxybenzenesulfonate
CID 140670060
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
(4-ethenylphenyl)methyl-trimethylazanium;methanesulfonate
CID 71406708
(4-ethenylphenyl)sulfonyl-fluorosulfonylazanide
CID 170776199
ethenylsulfonyl 4-ethenylbenzenesulfonate
CID 57074743

Frequently Asked Questions

What is the IUPAC name of zinc bis(4-ethenylbenzenesulfonate)?
The IUPAC name of zinc bis(4-ethenylbenzenesulfonate) (CID 22931380) is zinc bis(4-ethenylbenzenesulfonate).
What is the SMILES notation for zinc bis(4-ethenylbenzenesulfonate)?
The canonical SMILES for zinc bis(4-ethenylbenzenesulfonate) is C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Zn+2].
What is the InChIKey of zinc bis(4-ethenylbenzenesulfonate)?
The InChIKey is TXGHAMMMKDELEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H8O3S.Zn/c2*1-2-7-3-5-8(6-4-7)12(9,10)11;/h2*2-6H,1H2,(H,9,10,11);/q;;+2/p-2.
What are the key properties of zinc bis(4-ethenylbenzenesulfonate)?
zinc bis(4-ethenylbenzenesulfonate) has a molecular weight of 431.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(4-ethenylbenzenesulfonate) is sourced from PubChem (CID 22931380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).