CID 175098695

H2N3O3S+ — CID 175098695

IUPAC—
SMILESN#[N+]NS(=O)(=O)O
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h3H/p+1
InChIKeyGWYKUXRKVGGODS-UHFFFAOYSA-O
MW124.10 g/mol
LogP-0.85
Rot. Bonds1

About CID 175098695

CID 175098695 (PubChem CID 175098695) has the molecular formula H2N3O3S+ and a molecular weight of 124.10 g/mol.

Molecular Properties

Compound NameCID 175098695
PubChem CID175098695
Molecular FormulaH2N3O3S+
Molecular Weight124.10 g/mol
Exact Mass123.98
IUPAC Name—
SMILESN#[N+]NS(=O)(=O)O
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h3H/p+1
InChIKeyGWYKUXRKVGGODS-UHFFFAOYSA-O
XLogP-0.85
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175098695?
The IUPAC name of CID 175098695 (CID 175098695) is not available.
What is the SMILES notation for CID 175098695?
The canonical SMILES for CID 175098695 is N#[N+]NS(=O)(=O)O.
What is the InChIKey of CID 175098695?
The InChIKey is GWYKUXRKVGGODS-UHFFFAOYSA-O. The full InChI is InChI=1S/HN3O3S/c1-2-3-7(4,5)6/h3H/p+1.
What are the key properties of CID 175098695?
CID 175098695 has a molecular weight of 124.10 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175098695 is sourced from PubChem (CID 175098695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).