potassium sulfidosulfonylbenzene

C6H5KO2S2 — CID 10987591

IUPACpotassium sulfidosulfonylbenzene
SMILESO=S(=O)([S-])c1ccccc1.[K+]
InChIInChI=1S/C6H6O2S2.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyZIZWJGGAMHFNNR-UHFFFAOYSA-M
MW212.34 g/mol
LogP-2.07
Rot. Bonds1

About potassium sulfidosulfonylbenzene

potassium sulfidosulfonylbenzene (PubChem CID 10987591) has the molecular formula C6H5KO2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is potassium sulfidosulfonylbenzene.

Molecular Properties

Compound Namepotassium sulfidosulfonylbenzene
PubChem CID10987591
Molecular FormulaC6H5KO2S2
Molecular Weight212.34 g/mol
Exact Mass211.94
IUPAC Namepotassium sulfidosulfonylbenzene
SMILESO=S(=O)([S-])c1ccccc1.[K+]
InChIInChI=1S/C6H6O2S2.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyZIZWJGGAMHFNNR-UHFFFAOYSA-M
XLogP-2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium sulfidosulfonylbenzene?
The IUPAC name of potassium sulfidosulfonylbenzene (CID 10987591) is potassium sulfidosulfonylbenzene.
What is the SMILES notation for potassium sulfidosulfonylbenzene?
The canonical SMILES for potassium sulfidosulfonylbenzene is O=S(=O)([S-])c1ccccc1.[K+].
What is the InChIKey of potassium sulfidosulfonylbenzene?
The InChIKey is ZIZWJGGAMHFNNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S2.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1.
What are the key properties of potassium sulfidosulfonylbenzene?
potassium sulfidosulfonylbenzene has a molecular weight of 212.34 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium sulfidosulfonylbenzene is sourced from PubChem (CID 10987591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).