CID 173423276

H2KNa3O5S2 — CID 173423276

IUPAC—
SMILESO=S([O-])S(=O)[O-].[H-].[K+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/K.3Na.H2O4S2.H2O.H/c;;;;1-5(2)6(3)4;;/h;;;;(H,1,2)(H,3,4);1H2;/q4*+1;;;-1/p-3
InChIKeyAGLDXNCFPRLFKU-UHFFFAOYSA-K
MW254.21 g/mol
LogP-13.39
Rot. Bonds1

About CID 173423276

CID 173423276 (PubChem CID 173423276) has the molecular formula H2KNa3O5S2 and a molecular weight of 254.21 g/mol.

Molecular Properties

Compound NameCID 173423276
PubChem CID173423276
Molecular FormulaH2KNa3O5S2
Molecular Weight254.21 g/mol
Exact Mass253.87
IUPAC Name—
SMILESO=S([O-])S(=O)[O-].[H-].[K+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/K.3Na.H2O4S2.H2O.H/c;;;;1-5(2)6(3)4;;/h;;;;(H,1,2)(H,3,4);1H2;/q4*+1;;;-1/p-3
InChIKeyAGLDXNCFPRLFKU-UHFFFAOYSA-K
XLogP-13.39
TPSA110.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-13.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 173423276 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173423276?
The IUPAC name of CID 173423276 (CID 173423276) is not available.
What is the SMILES notation for CID 173423276?
The canonical SMILES for CID 173423276 is O=S([O-])S(=O)[O-].[H-].[K+].[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of CID 173423276?
The InChIKey is AGLDXNCFPRLFKU-UHFFFAOYSA-K. The full InChI is InChI=1S/K.3Na.H2O4S2.H2O.H/c;;;;1-5(2)6(3)4;;/h;;;;(H,1,2)(H,3,4);1H2;/q4*+1;;;-1/p-3.
What are the key properties of CID 173423276?
CID 173423276 has a molecular weight of 254.21 g/mol, XLogP of -13.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173423276 is sourced from PubChem (CID 173423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).