CID 22145506

NO3S2- — CID 22145506

IUPAC—
SMILESO=S=NS(=O)[O-]
InChIInChI=1S/HNO3S2/c2-5-1-6(3)4/h(H,3,4)/p-1
InChIKeyXJJZFKBFQOFEJL-UHFFFAOYSA-M
MW126.14 g/mol
LogP-0.82
Rot. Bonds1

About CID 22145506

CID 22145506 (PubChem CID 22145506) has the molecular formula NO3S2- and a molecular weight of 126.14 g/mol.

Molecular Properties

Compound NameCID 22145506
PubChem CID22145506
Molecular FormulaNO3S2-
Molecular Weight126.14 g/mol
Exact Mass125.93
IUPAC Name—
SMILESO=S=NS(=O)[O-]
InChIInChI=1S/HNO3S2/c2-5-1-6(3)4/h(H,3,4)/p-1
InChIKeyXJJZFKBFQOFEJL-UHFFFAOYSA-M
XLogP-0.82
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 22145506?
The IUPAC name of CID 22145506 (CID 22145506) is not available.
What is the SMILES notation for CID 22145506?
The canonical SMILES for CID 22145506 is O=S=NS(=O)[O-].
What is the InChIKey of CID 22145506?
The InChIKey is XJJZFKBFQOFEJL-UHFFFAOYSA-M. The full InChI is InChI=1S/HNO3S2/c2-5-1-6(3)4/h(H,3,4)/p-1.
What are the key properties of CID 22145506?
CID 22145506 has a molecular weight of 126.14 g/mol, XLogP of -0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22145506 is sourced from PubChem (CID 22145506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).