CID 156593771

H5MgNO4S — CID 156593771

IUPAC—
SMILESN.O=S(=O)(O)O.[Mg]
InChIInChI=1S/Mg.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
InChIKeyGJWNGZVIYONGOL-UHFFFAOYSA-N
MW139.41 g/mol
LogP-0.87
Rot. Bonds

About CID 156593771

CID 156593771 (PubChem CID 156593771) has the molecular formula H5MgNO4S and a molecular weight of 139.41 g/mol.

Molecular Properties

Compound NameCID 156593771
PubChem CID156593771
Molecular FormulaH5MgNO4S
Molecular Weight139.41 g/mol
Exact Mass138.98
IUPAC Name—
SMILESN.O=S(=O)(O)O.[Mg]
InChIInChI=1S/Mg.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
InChIKeyGJWNGZVIYONGOL-UHFFFAOYSA-N
XLogP-0.87
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.41
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156593771?
The IUPAC name of CID 156593771 (CID 156593771) is not available.
What is the SMILES notation for CID 156593771?
The canonical SMILES for CID 156593771 is N.O=S(=O)(O)O.[Mg].
What is the InChIKey of CID 156593771?
The InChIKey is GJWNGZVIYONGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/Mg.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4).
What are the key properties of CID 156593771?
CID 156593771 has a molecular weight of 139.41 g/mol, XLogP of -0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156593771 is sourced from PubChem (CID 156593771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).