CID 57424164

H3N2O5S2- — CID 57424164

IUPAC—
SMILESO=S([O-])NNS(=O)(=O)O
InChIInChI=1S/H4N2O5S2/c3-8(4)1-2-9(5,6)7/h1-2H,(H,3,4)(H,5,6,7)/p-1
InChIKeyZXKUOCNQCRIPOA-UHFFFAOYSA-M
MW175.17 g/mol
LogP-2.32
Rot. Bonds3

About CID 57424164

CID 57424164 (PubChem CID 57424164) has the molecular formula H3N2O5S2- and a molecular weight of 175.17 g/mol.

Molecular Properties

Compound NameCID 57424164
PubChem CID57424164
Molecular FormulaH3N2O5S2-
Molecular Weight175.17 g/mol
Exact Mass174.95
IUPAC Name—
SMILESO=S([O-])NNS(=O)(=O)O
InChIInChI=1S/H4N2O5S2/c3-8(4)1-2-9(5,6)7/h1-2H,(H,3,4)(H,5,6,7)/p-1
InChIKeyZXKUOCNQCRIPOA-UHFFFAOYSA-M
XLogP-2.32
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57424164?
The IUPAC name of CID 57424164 (CID 57424164) is not available.
What is the SMILES notation for CID 57424164?
The canonical SMILES for CID 57424164 is O=S([O-])NNS(=O)(=O)O.
What is the InChIKey of CID 57424164?
The InChIKey is ZXKUOCNQCRIPOA-UHFFFAOYSA-M. The full InChI is InChI=1S/H4N2O5S2/c3-8(4)1-2-9(5,6)7/h1-2H,(H,3,4)(H,5,6,7)/p-1.
What are the key properties of CID 57424164?
CID 57424164 has a molecular weight of 175.17 g/mol, XLogP of -2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57424164 is sourced from PubChem (CID 57424164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).