CID 58974569

HO3PS — CID 58974569

IUPAC—
SMILESO=P(=O)OS
InChIInChI=1S/HO3PS/c1-4(2)3-5/h5H
InChIKeyGARRUFMCCSERLK-UHFFFAOYSA-N
MW112.05 g/mol
LogP0.94
Rot. Bonds1

About CID 58974569

CID 58974569 (PubChem CID 58974569) has the molecular formula HO3PS and a molecular weight of 112.05 g/mol.

Molecular Properties

Compound NameCID 58974569
PubChem CID58974569
Molecular FormulaHO3PS
Molecular Weight112.05 g/mol
Exact Mass111.94
IUPAC Name—
SMILESO=P(=O)OS
InChIInChI=1S/HO3PS/c1-4(2)3-5/h5H
InChIKeyGARRUFMCCSERLK-UHFFFAOYSA-N
XLogP0.94
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 58974569 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 58974569?
The IUPAC name of CID 58974569 (CID 58974569) is not available.
What is the SMILES notation for CID 58974569?
The canonical SMILES for CID 58974569 is O=P(=O)OS.
What is the InChIKey of CID 58974569?
The InChIKey is GARRUFMCCSERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/HO3PS/c1-4(2)3-5/h5H.
What are the key properties of CID 58974569?
CID 58974569 has a molecular weight of 112.05 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58974569 is sourced from PubChem (CID 58974569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).