potassium 2,2-diphenylethoxymethanedithioate

C15H13KOS2 — CID 71681523

IUPACpotassium 2,2-diphenylethoxymethanedithioate
SMILESS=C([S-])OCC(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
InChIKeyQGXOTXNKZBHCAR-UHFFFAOYSA-M
MW312.50 g/mol
LogP0.67
Rot. Bonds4

About potassium 2,2-diphenylethoxymethanedithioate

potassium 2,2-diphenylethoxymethanedithioate (PubChem CID 71681523) has the molecular formula C15H13KOS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is potassium 2,2-diphenylethoxymethanedithioate.

Molecular Properties

Compound Namepotassium 2,2-diphenylethoxymethanedithioate
PubChem CID71681523
Molecular FormulaC15H13KOS2
Molecular Weight312.50 g/mol
Exact Mass312.00
IUPAC Namepotassium 2,2-diphenylethoxymethanedithioate
SMILESS=C([S-])OCC(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
InChIKeyQGXOTXNKZBHCAR-UHFFFAOYSA-M
XLogP0.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2-diphenylethoxymethanedithioate?
The IUPAC name of potassium 2,2-diphenylethoxymethanedithioate (CID 71681523) is potassium 2,2-diphenylethoxymethanedithioate.
What is the SMILES notation for potassium 2,2-diphenylethoxymethanedithioate?
The canonical SMILES for potassium 2,2-diphenylethoxymethanedithioate is S=C([S-])OCC(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium 2,2-diphenylethoxymethanedithioate?
The InChIKey is QGXOTXNKZBHCAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 2,2-diphenylethoxymethanedithioate?
potassium 2,2-diphenylethoxymethanedithioate has a molecular weight of 312.50 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-diphenylethoxymethanedithioate is sourced from PubChem (CID 71681523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).