CID 22112643

H3NO2S — CID 22112643

IUPAC—
SMILESNS(=O)[O-].[H+]
InChIInChI=1S/H3NO2S/c1-4(2)3/h1H2,(H,2,3)
InChIKeyJXUFISIHEZOBPI-UHFFFAOYSA-N
MW81.10 g/mol
LogP-1.15
Rot. Bonds

About CID 22112643

CID 22112643 (PubChem CID 22112643) has the molecular formula H3NO2S and a molecular weight of 81.10 g/mol.

Molecular Properties

Compound NameCID 22112643
PubChem CID22112643
Molecular FormulaH3NO2S
Molecular Weight81.10 g/mol
Exact Mass80.99
IUPAC Name—
SMILESNS(=O)[O-].[H+]
InChIInChI=1S/H3NO2S/c1-4(2)3/h1H2,(H,2,3)
InChIKeyJXUFISIHEZOBPI-UHFFFAOYSA-N
XLogP-1.15
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22112643?
The IUPAC name of CID 22112643 (CID 22112643) is not available.
What is the SMILES notation for CID 22112643?
The canonical SMILES for CID 22112643 is NS(=O)[O-].[H+].
What is the InChIKey of CID 22112643?
The InChIKey is JXUFISIHEZOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO2S/c1-4(2)3/h1H2,(H,2,3).
What are the key properties of CID 22112643?
CID 22112643 has a molecular weight of 81.10 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22112643 is sourced from PubChem (CID 22112643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).