dipotassium;benzenesulfinate;hydride

C6H6K2O2S — CID 175501650

IUPACdipotassium;benzenesulfinate;hydride
SMILESO=S([O-])c1ccccc1.[H-].[K+].[K+]
InChIInChI=1S/C6H6O2S.2K.H/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;;/q;2*+1;-1/p-1
InChIKeyRFAXSQHDFKCXIV-UHFFFAOYSA-M
MW220.38 g/mol
LogP-4.95
Rot. Bonds1

About dipotassium;benzenesulfinate;hydride

dipotassium;benzenesulfinate;hydride (PubChem CID 175501650) has the molecular formula C6H6K2O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is dipotassium;benzenesulfinate;hydride.

Molecular Properties

Compound Namedipotassium;benzenesulfinate;hydride
PubChem CID175501650
Molecular FormulaC6H6K2O2S
Molecular Weight220.38 g/mol
Exact Mass219.94
IUPAC Namedipotassium;benzenesulfinate;hydride
SMILESO=S([O-])c1ccccc1.[H-].[K+].[K+]
InChIInChI=1S/C6H6O2S.2K.H/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;;/q;2*+1;-1/p-1
InChIKeyRFAXSQHDFKCXIV-UHFFFAOYSA-M
XLogP-4.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 5-4.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dipotassium;benzenesulfinate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenesulfonyl chloride
CID 7369
Benzenesulfonamide
CID 7370
Benzenesulfonic Acid
CID 7371
Benzenesulfonyl fluoride
CID 67779
Sodium benzenesulfonate
CID 517327
Methyl benzenesulfonate
CID 6630
p-chloromercuribenzenesulfonic acid sodium salt
CID 3653477
4-Fluorobenzenesulfonyl chloride
CID 9588
Disodium 1,3-benzenedisulfonate
CID 71577
Hydroxybenzenesulfonic acid
CID 15619088
4-Iodobenzenesulfonyl chloride
CID 7399
Benzenesulfinic acid
CID 12057

Frequently Asked Questions

What is the IUPAC name of dipotassium;benzenesulfinate;hydride?
The IUPAC name of dipotassium;benzenesulfinate;hydride (CID 175501650) is dipotassium;benzenesulfinate;hydride.
What is the SMILES notation for dipotassium;benzenesulfinate;hydride?
The canonical SMILES for dipotassium;benzenesulfinate;hydride is O=S([O-])c1ccccc1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;benzenesulfinate;hydride?
The InChIKey is RFAXSQHDFKCXIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S.2K.H/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;;/q;2*+1;-1/p-1.
What are the key properties of dipotassium;benzenesulfinate;hydride?
dipotassium;benzenesulfinate;hydride has a molecular weight of 220.38 g/mol, XLogP of -4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;benzenesulfinate;hydride is sourced from PubChem (CID 175501650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).