CID 19034999

H2N2O4S — CID 19034999

IUPAC—
SMILESO=[N+]([O-])NS(=O)O
InChIInChI=1S/H2N2O4S/c3-2(4)1-7(5)6/h1H,(H,5,6)
InChIKeyXCDOZNUHDLLASP-UHFFFAOYSA-N
MW126.09 g/mol
LogP-1.10
Rot. Bonds2

About CID 19034999

CID 19034999 (PubChem CID 19034999) has the molecular formula H2N2O4S and a molecular weight of 126.09 g/mol.

Molecular Properties

Compound NameCID 19034999
PubChem CID19034999
Molecular FormulaH2N2O4S
Molecular Weight126.09 g/mol
Exact Mass125.97
IUPAC Name—
SMILESO=[N+]([O-])NS(=O)O
InChIInChI=1S/H2N2O4S/c3-2(4)1-7(5)6/h1H,(H,5,6)
InChIKeyXCDOZNUHDLLASP-UHFFFAOYSA-N
XLogP-1.10
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 19034999?
The IUPAC name of CID 19034999 (CID 19034999) is not available.
What is the SMILES notation for CID 19034999?
The canonical SMILES for CID 19034999 is O=[N+]([O-])NS(=O)O.
What is the InChIKey of CID 19034999?
The InChIKey is XCDOZNUHDLLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O4S/c3-2(4)1-7(5)6/h1H,(H,5,6).
What are the key properties of CID 19034999?
CID 19034999 has a molecular weight of 126.09 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19034999 is sourced from PubChem (CID 19034999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).