CID 20507039

H2O9S3 — CID 20507039

IUPAC—
SMILESO=S(=O)(O)OS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H2O9S3/c1-10(2,3)9-12(7,8)11(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyXGEXTFUFRSZXLW-UHFFFAOYSA-N
MW242.21 g/mol
LogP-2.06
Rot. Bonds3

About CID 20507039

CID 20507039 (PubChem CID 20507039) has the molecular formula H2O9S3 and a molecular weight of 242.21 g/mol.

Molecular Properties

Compound NameCID 20507039
PubChem CID20507039
Molecular FormulaH2O9S3
Molecular Weight242.21 g/mol
Exact Mass241.89
IUPAC Name—
SMILESO=S(=O)(O)OS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H2O9S3/c1-10(2,3)9-12(7,8)11(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyXGEXTFUFRSZXLW-UHFFFAOYSA-N
XLogP-2.06
TPSA152.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 20507039 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 174862856
CID 174862856
CID 173332753
CID 173332753
silane;sulfo hydrogen sulfate
CID 173332743
potassium sulfo sulfate
CID 157130711
nitroso hydrogen sulfate;nitrous acid
CID 159941203
hydrazine;(hydroxy-methylidene-oxo-λ6-sulfanyl) hydrogen sulfate
CID 175830323
potassium;sulfo sulfate;sulfuric acid
CID 158562224
CID 173431110
CID 173431110
prop-1-ene;sulfo hydrogen sulfate
CID 158163736
sulfooxy hydrogen sulfate
CID 24413
sodium sulfooxysulfonyl sulfate
CID 175371917
sodium;hydride;hydrogen peroxide;hydroxy sulfo sulfate
CID 173090604

Frequently Asked Questions

What is the IUPAC name of CID 20507039?
The IUPAC name of CID 20507039 (CID 20507039) is not available.
What is the SMILES notation for CID 20507039?
The canonical SMILES for CID 20507039 is O=S(=O)(O)OS(=O)(=O)S(=O)(=O)O.
What is the InChIKey of CID 20507039?
The InChIKey is XGEXTFUFRSZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O9S3/c1-10(2,3)9-12(7,8)11(4,5)6/h(H,1,2,3)(H,4,5,6).
What are the key properties of CID 20507039?
CID 20507039 has a molecular weight of 242.21 g/mol, XLogP of -2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20507039 is sourced from PubChem (CID 20507039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).