dipotassium;(E)-but-2-ene-1,4-disulfinate

C4H6K2O4S2 — CID 88666352

IUPACdipotassium;(E)-but-2-ene-1,4-disulfinate
SMILESO=S([O-])C/C=C/CS(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H8O4S2.2K/c5-9(6)3-1-2-4-10(7)8;;/h1-2H,3-4H2,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
InChIKeyJCTPXZFCQCSUQO-SEPHDYHBSA-L
MW260.42 g/mol
LogP-6.69
Rot. Bonds4

About dipotassium;(E)-but-2-ene-1,4-disulfinate

dipotassium;(E)-but-2-ene-1,4-disulfinate (PubChem CID 88666352) has the molecular formula C4H6K2O4S2 and a molecular weight of 260.42 g/mol. Its IUPAC name is dipotassium;(E)-but-2-ene-1,4-disulfinate.

Molecular Properties

Compound Namedipotassium;(E)-but-2-ene-1,4-disulfinate
PubChem CID88666352
Molecular FormulaC4H6K2O4S2
Molecular Weight260.42 g/mol
Exact Mass259.90
IUPAC Namedipotassium;(E)-but-2-ene-1,4-disulfinate
SMILESO=S([O-])C/C=C/CS(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H8O4S2.2K/c5-9(6)3-1-2-4-10(7)8;;/h1-2H,3-4H2,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
InChIKeyJCTPXZFCQCSUQO-SEPHDYHBSA-L
XLogP-6.69
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 5-6.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(E)-but-2-ene-1,4-disulfinate?
The IUPAC name of dipotassium;(E)-but-2-ene-1,4-disulfinate (CID 88666352) is dipotassium;(E)-but-2-ene-1,4-disulfinate.
What is the SMILES notation for dipotassium;(E)-but-2-ene-1,4-disulfinate?
The canonical SMILES for dipotassium;(E)-but-2-ene-1,4-disulfinate is O=S([O-])C/C=C/CS(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(E)-but-2-ene-1,4-disulfinate?
The InChIKey is JCTPXZFCQCSUQO-SEPHDYHBSA-L. The full InChI is InChI=1S/C4H8O4S2.2K/c5-9(6)3-1-2-4-10(7)8;;/h1-2H,3-4H2,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;.
What are the key properties of dipotassium;(E)-but-2-ene-1,4-disulfinate?
dipotassium;(E)-but-2-ene-1,4-disulfinate has a molecular weight of 260.42 g/mol, XLogP of -6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(E)-but-2-ene-1,4-disulfinate is sourced from PubChem (CID 88666352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).