CID 22598897

O6S3-2 — CID 22598897

IUPAC—
SMILESO=S([O-])S(=O)(=O)S(=O)[O-]
InChIInChI=1S/H2O6S3/c1-7(2)9(5,6)8(3)4/h(H,1,2)(H,3,4)/p-2
InChIKeyNSKDENABXCCTMG-UHFFFAOYSA-L
MW192.19 g/mol
LogP-2.01
Rot. Bonds2

About CID 22598897

CID 22598897 (PubChem CID 22598897) has the molecular formula O6S3-2 and a molecular weight of 192.19 g/mol.

Molecular Properties

Compound NameCID 22598897
PubChem CID22598897
Molecular FormulaO6S3-2
Molecular Weight192.19 g/mol
Exact Mass191.89
IUPAC Name—
SMILESO=S([O-])S(=O)(=O)S(=O)[O-]
InChIInChI=1S/H2O6S3/c1-7(2)9(5,6)8(3)4/h(H,1,2)(H,3,4)/p-2
InChIKeyNSKDENABXCCTMG-UHFFFAOYSA-L
XLogP-2.01
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 22598897 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 21392413
CID 21392413
CID 158691877
CID 158691877
CID 174910696
CID 174910696
CID 59389736
CID 59389736
CID 173180491
CID 173180491
CID 172999665
CID 172999665
dioxido-oxo-sulfanylidene-λ6-sulfane;gold;sulfite
CID 174156089
calcium;sulfur trioxide;sulfate
CID 158621545
dicopper disulfite
CID 170844287
bis(lutetium(3+));trisulfite
CID 159878392
cobalt(2+) sulfite
CID 18760923
disodium;sulfite
CID 516934

Frequently Asked Questions

What is the IUPAC name of CID 22598897?
The IUPAC name of CID 22598897 (CID 22598897) is not available.
What is the SMILES notation for CID 22598897?
The canonical SMILES for CID 22598897 is O=S([O-])S(=O)(=O)S(=O)[O-].
What is the InChIKey of CID 22598897?
The InChIKey is NSKDENABXCCTMG-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O6S3/c1-7(2)9(5,6)8(3)4/h(H,1,2)(H,3,4)/p-2.
What are the key properties of CID 22598897?
CID 22598897 has a molecular weight of 192.19 g/mol, XLogP of -2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22598897 is sourced from PubChem (CID 22598897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).