potassium ethanedithioate

C2H3KS2 — CID 21335195

IUPACpotassium ethanedithioate
SMILESCC(=S)[S-].[K+]
InChIInChI=1S/C2H4S2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyRSQZUNJVSQZGCZ-UHFFFAOYSA-M
MW130.28 g/mol
LogP-2.12
Rot. Bonds

About potassium ethanedithioate

potassium ethanedithioate (PubChem CID 21335195) has the molecular formula C2H3KS2 and a molecular weight of 130.28 g/mol. Its IUPAC name is potassium ethanedithioate.

Molecular Properties

Compound Namepotassium ethanedithioate
PubChem CID21335195
Molecular FormulaC2H3KS2
Molecular Weight130.28 g/mol
Exact Mass129.93
IUPAC Namepotassium ethanedithioate
SMILESCC(=S)[S-].[K+]
InChIInChI=1S/C2H4S2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyRSQZUNJVSQZGCZ-UHFFFAOYSA-M
XLogP-2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.28
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium ethanedithioate?
The IUPAC name of potassium ethanedithioate (CID 21335195) is potassium ethanedithioate.
What is the SMILES notation for potassium ethanedithioate?
The canonical SMILES for potassium ethanedithioate is CC(=S)[S-].[K+].
What is the InChIKey of potassium ethanedithioate?
The InChIKey is RSQZUNJVSQZGCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4S2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1.
What are the key properties of potassium ethanedithioate?
potassium ethanedithioate has a molecular weight of 130.28 g/mol, XLogP of -2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethanedithioate is sourced from PubChem (CID 21335195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).