CID 172999665

H2Na2O9S3 — CID 172999665

IUPAC—
SMILESO=S(=O)(O)S(=O)(=O)O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O6S2.H2O3S/c;;1-7(2,3)8(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2
InChIKeyQPHCREGZIXSGFJ-UHFFFAOYSA-L
MW288.19 g/mol
LogP-8.32
Rot. Bonds1

About CID 172999665

CID 172999665 (PubChem CID 172999665) has the molecular formula H2Na2O9S3 and a molecular weight of 288.19 g/mol.

Molecular Properties

Compound NameCID 172999665
PubChem CID172999665
Molecular FormulaH2Na2O9S3
Molecular Weight288.19 g/mol
Exact Mass287.87
IUPAC Name—
SMILESO=S(=O)(O)S(=O)(=O)O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O6S2.H2O3S/c;;1-7(2,3)8(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2
InChIKeyQPHCREGZIXSGFJ-UHFFFAOYSA-L
XLogP-8.32
TPSA171.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-8.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze CID 172999665 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

CID 175708159
CID 175708159
disodium;sulfite
CID 516934
CID 175737084
CID 175737084
CID 158691877
CID 158691877
CID 174910696
CID 174910696
disodium;methane;sulfite
CID 86619477
disodium;sulfite;hexahydrate
CID 158498638
sodium;sulfite;hydrate
CID 19366461
CID 174637419
CID 174637419
iodanium;disodium;hydrogen sulfite;sulfite
CID 172740799
copper;sodium;hydrogen sulfite;sulfate
CID 160627892
diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate
CID 173376554

Frequently Asked Questions

What is the IUPAC name of CID 172999665?
The IUPAC name of CID 172999665 (CID 172999665) is not available.
What is the SMILES notation for CID 172999665?
The canonical SMILES for CID 172999665 is O=S(=O)(O)S(=O)(=O)O.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of CID 172999665?
The InChIKey is QPHCREGZIXSGFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O6S2.H2O3S/c;;1-7(2,3)8(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2.
What are the key properties of CID 172999665?
CID 172999665 has a molecular weight of 288.19 g/mol, XLogP of -8.32, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172999665 is sourced from PubChem (CID 172999665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).