potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione

C17H13KN2O4S — CID 174893539

IUPACpotassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione
SMILESCSc1cccc2c1C(=O)NC2=O.O=C1NC(=O)c2ccccc21.[H-].[K+]
InChIInChI=1S/C9H7NO2S.C8H5NO2.K.H/c1-13-6-4-2-3-5-7(6)9(12)10-8(5)11;10-7-5-3-1-2-4-6(5)8(11)9-7;;/h2-4H,1H3,(H,10,11,12);1-4H,(H,9,10,11);;/q;;+1;-1
InChIKeyHZFPNOQFYAGGTH-UHFFFAOYSA-N
MW380.47 g/mol
LogP-1.02
Rot. Bonds1

About potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione

potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione (PubChem CID 174893539) has the molecular formula C17H13KN2O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione.

Molecular Properties

Compound Namepotassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione
PubChem CID174893539
Molecular FormulaC17H13KN2O4S
Molecular Weight380.47 g/mol
Exact Mass380.02
IUPAC Namepotassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione
SMILESCSc1cccc2c1C(=O)NC2=O.O=C1NC(=O)c2ccccc21.[H-].[K+]
InChIInChI=1S/C9H7NO2S.C8H5NO2.K.H/c1-13-6-4-2-3-5-7(6)9(12)10-8(5)11;10-7-5-3-1-2-4-6(5)8(11)9-7;;/h2-4H,1H3,(H,10,11,12);1-4H,(H,9,10,11);;/q;;+1;-1
InChIKeyHZFPNOQFYAGGTH-UHFFFAOYSA-N
XLogP-1.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione?
The IUPAC name of potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione (CID 174893539) is potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione.
What is the SMILES notation for potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione?
The canonical SMILES for potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione is CSc1cccc2c1C(=O)NC2=O.O=C1NC(=O)c2ccccc21.[H-].[K+].
What is the InChIKey of potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione?
The InChIKey is HZFPNOQFYAGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S.C8H5NO2.K.H/c1-13-6-4-2-3-5-7(6)9(12)10-8(5)11;10-7-5-3-1-2-4-6(5)8(11)9-7;;/h2-4H,1H3,(H,10,11,12);1-4H,(H,9,10,11);;/q;;+1;-1.
What are the key properties of potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione?
potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione has a molecular weight of 380.47 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;isoindole-1,3-dione;4-methylsulfanylisoindole-1,3-dione is sourced from PubChem (CID 174893539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).