CID 18359690

H3NO4S2 — CID 18359690

IUPAC—
SMILESNS(=O)(=O)S(=O)O
InChIInChI=1S/H3NO4S2/c1-7(4,5)6(2)3/h(H,2,3)(H2,1,4,5)
InChIKeyRWEPRTKACWIYJO-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.59
Rot. Bonds1

About CID 18359690

CID 18359690 (PubChem CID 18359690) has the molecular formula H3NO4S2 and a molecular weight of 145.16 g/mol.

Molecular Properties

Compound NameCID 18359690
PubChem CID18359690
Molecular FormulaH3NO4S2
Molecular Weight145.16 g/mol
Exact Mass144.95
IUPAC Name—
SMILESNS(=O)(=O)S(=O)O
InChIInChI=1S/H3NO4S2/c1-7(4,5)6(2)3/h(H,2,3)(H2,1,4,5)
InChIKeyRWEPRTKACWIYJO-UHFFFAOYSA-N
XLogP-1.59
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 18359690 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 18359690?
The IUPAC name of CID 18359690 (CID 18359690) is not available.
What is the SMILES notation for CID 18359690?
The canonical SMILES for CID 18359690 is NS(=O)(=O)S(=O)O.
What is the InChIKey of CID 18359690?
The InChIKey is RWEPRTKACWIYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO4S2/c1-7(4,5)6(2)3/h(H,2,3)(H2,1,4,5).
What are the key properties of CID 18359690?
CID 18359690 has a molecular weight of 145.16 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18359690 is sourced from PubChem (CID 18359690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).