CID 21223241

H2N2O4S2-2 — CID 21223241

IUPAC—
SMILESO=S([O-])NNS(=O)[O-]
InChIInChI=1S/H4N2O4S2/c3-7(4)1-2-8(5)6/h1-2H,(H,3,4)(H,5,6)/p-2
InChIKeyYEQFBZJBIODRQS-UHFFFAOYSA-L
MW158.16 g/mol
LogP-2.33
Rot. Bonds3

About CID 21223241

CID 21223241 (PubChem CID 21223241) has the molecular formula H2N2O4S2-2 and a molecular weight of 158.16 g/mol.

Molecular Properties

Compound NameCID 21223241
PubChem CID21223241
Molecular FormulaH2N2O4S2-2
Molecular Weight158.16 g/mol
Exact Mass157.95
IUPAC Name—
SMILESO=S([O-])NNS(=O)[O-]
InChIInChI=1S/H4N2O4S2/c3-7(4)1-2-8(5)6/h1-2H,(H,3,4)(H,5,6)/p-2
InChIKeyYEQFBZJBIODRQS-UHFFFAOYSA-L
XLogP-2.33
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 21223241 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 21223241?
The IUPAC name of CID 21223241 (CID 21223241) is not available.
What is the SMILES notation for CID 21223241?
The canonical SMILES for CID 21223241 is O=S([O-])NNS(=O)[O-].
What is the InChIKey of CID 21223241?
The InChIKey is YEQFBZJBIODRQS-UHFFFAOYSA-L. The full InChI is InChI=1S/H4N2O4S2/c3-7(4)1-2-8(5)6/h1-2H,(H,3,4)(H,5,6)/p-2.
What are the key properties of CID 21223241?
CID 21223241 has a molecular weight of 158.16 g/mol, XLogP of -2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21223241 is sourced from PubChem (CID 21223241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).