CID 174882725

H4N2O6S2 — CID 174882725

IUPAC—
SMILESO=S(=O)(O)S(=O)(=O)O.[H]/N=N/[H]
InChIInChI=1S/H2N2.H2O6S2/c1-2;1-7(2,3)8(4,5)6/h1-2H;(H,1,2,3)(H,4,5,6)/b2-1+;
InChIKeyPKKKRJYJRZIWPU-TYYBGVCCSA-N
MW192.17 g/mol
LogP-0.73
Rot. Bonds1

About CID 174882725

CID 174882725 (PubChem CID 174882725) has the molecular formula H4N2O6S2 and a molecular weight of 192.17 g/mol.

Molecular Properties

Compound NameCID 174882725
PubChem CID174882725
Molecular FormulaH4N2O6S2
Molecular Weight192.17 g/mol
Exact Mass191.95
IUPAC Name—
SMILESO=S(=O)(O)S(=O)(=O)O.[H]/N=N/[H]
InChIInChI=1S/H2N2.H2O6S2/c1-2;1-7(2,3)8(4,5)6/h1-2H;(H,1,2,3)(H,4,5,6)/b2-1+;
InChIKeyPKKKRJYJRZIWPU-TYYBGVCCSA-N
XLogP-0.73
TPSA156.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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 174882725?
The IUPAC name of CID 174882725 (CID 174882725) is not available.
What is the SMILES notation for CID 174882725?
The canonical SMILES for CID 174882725 is O=S(=O)(O)S(=O)(=O)O.[H]/N=N/[H].
What is the InChIKey of CID 174882725?
The InChIKey is PKKKRJYJRZIWPU-TYYBGVCCSA-N. The full InChI is InChI=1S/H2N2.H2O6S2/c1-2;1-7(2,3)8(4,5)6/h1-2H;(H,1,2,3)(H,4,5,6)/b2-1+;.
What are the key properties of CID 174882725?
CID 174882725 has a molecular weight of 192.17 g/mol, XLogP of -0.73, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174882725 is sourced from PubChem (CID 174882725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).