CID 149433419

H2NO4S- — CID 149433419

IUPAC—
SMILESO=S([O-])N(O)O
InChIInChI=1S/H3NO4S/c2-1(3)6(4)5/h2-3H,(H,4,5)/p-1
InChIKeyAKCPXONDHOCQRO-UHFFFAOYSA-M
MW112.09 g/mol
LogP-1.14
Rot. Bonds1

About CID 149433419

CID 149433419 (PubChem CID 149433419) has the molecular formula H2NO4S- and a molecular weight of 112.09 g/mol.

Molecular Properties

Compound NameCID 149433419
PubChem CID149433419
Molecular FormulaH2NO4S-
Molecular Weight112.09 g/mol
Exact Mass111.97
IUPAC Name—
SMILESO=S([O-])N(O)O
InChIInChI=1S/H3NO4S/c2-1(3)6(4)5/h2-3H,(H,4,5)/p-1
InChIKeyAKCPXONDHOCQRO-UHFFFAOYSA-M
XLogP-1.14
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 149433419?
The IUPAC name of CID 149433419 (CID 149433419) is not available.
What is the SMILES notation for CID 149433419?
The canonical SMILES for CID 149433419 is O=S([O-])N(O)O.
What is the InChIKey of CID 149433419?
The InChIKey is AKCPXONDHOCQRO-UHFFFAOYSA-M. The full InChI is InChI=1S/H3NO4S/c2-1(3)6(4)5/h2-3H,(H,4,5)/p-1.
What are the key properties of CID 149433419?
CID 149433419 has a molecular weight of 112.09 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149433419 is sourced from PubChem (CID 149433419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).