CID 154406469

H4N2O5S2 — CID 154406469

IUPAC—
SMILESNN(S(=O)O)S(=O)(=O)O
InChIInChI=1S/H4N2O5S2/c1-2(8(3)4)9(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKeyGTOCPWWEHGUZDE-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.90
Rot. Bonds2

About CID 154406469

CID 154406469 (PubChem CID 154406469) has the molecular formula H4N2O5S2 and a molecular weight of 176.17 g/mol.

Molecular Properties

Compound NameCID 154406469
PubChem CID154406469
Molecular FormulaH4N2O5S2
Molecular Weight176.17 g/mol
Exact Mass175.96
IUPAC Name—
SMILESNN(S(=O)O)S(=O)(=O)O
InChIInChI=1S/H4N2O5S2/c1-2(8(3)4)9(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKeyGTOCPWWEHGUZDE-UHFFFAOYSA-N
XLogP-1.90
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 154406469?
The IUPAC name of CID 154406469 (CID 154406469) is not available.
What is the SMILES notation for CID 154406469?
The canonical SMILES for CID 154406469 is NN(S(=O)O)S(=O)(=O)O.
What is the InChIKey of CID 154406469?
The InChIKey is GTOCPWWEHGUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O5S2/c1-2(8(3)4)9(5,6)7/h1H2,(H,3,4)(H,5,6,7).
What are the key properties of CID 154406469?
CID 154406469 has a molecular weight of 176.17 g/mol, XLogP of -1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154406469 is sourced from PubChem (CID 154406469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).