disodium;ethene;sulfate

C2H4Na2O4S — CID 161033718

IUPACdisodium;ethene;sulfate
SMILESC=C.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H4.2Na.H2O4S/c1-2;;;1-5(2,3)4/h1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyTZYWNLMUPXRXAF-UHFFFAOYSA-L
MW170.10 g/mol
LogP-6.53
Rot. Bonds

About disodium;ethene;sulfate

disodium;ethene;sulfate (PubChem CID 161033718) has the molecular formula C2H4Na2O4S and a molecular weight of 170.10 g/mol. Its IUPAC name is disodium;ethene;sulfate.

Molecular Properties

Compound Namedisodium;ethene;sulfate
PubChem CID161033718
Molecular FormulaC2H4Na2O4S
Molecular Weight170.10 g/mol
Exact Mass169.96
IUPAC Namedisodium;ethene;sulfate
SMILESC=C.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H4.2Na.H2O4S/c1-2;;;1-5(2,3)4/h1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyTZYWNLMUPXRXAF-UHFFFAOYSA-L
XLogP-6.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 5-6.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;ethene;sulfate?
The IUPAC name of disodium;ethene;sulfate (CID 161033718) is disodium;ethene;sulfate.
What is the SMILES notation for disodium;ethene;sulfate?
The canonical SMILES for disodium;ethene;sulfate is C=C.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;ethene;sulfate?
The InChIKey is TZYWNLMUPXRXAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4.2Na.H2O4S/c1-2;;;1-5(2,3)4/h1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;ethene;sulfate?
disodium;ethene;sulfate has a molecular weight of 170.10 g/mol, XLogP of -6.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethene;sulfate is sourced from PubChem (CID 161033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).