CID 161350897

H6N4O2S — CID 161350897

IUPAC—
SMILESNN.NN=S(=O)=O
InChIInChI=1S/H2N2O2S.H4N2/c1-2-5(3)4;1-2/h1H2;1-2H2
InChIKeyVNXIJJRTWKUZBW-UHFFFAOYSA-N
MW126.14 g/mol
LogP-2.26
Rot. Bonds

About CID 161350897

CID 161350897 (PubChem CID 161350897) has the molecular formula H6N4O2S and a molecular weight of 126.14 g/mol.

Molecular Properties

Compound NameCID 161350897
PubChem CID161350897
Molecular FormulaH6N4O2S
Molecular Weight126.14 g/mol
Exact Mass126.02
IUPAC Name—
SMILESNN.NN=S(=O)=O
InChIInChI=1S/H2N2O2S.H4N2/c1-2-5(3)4;1-2/h1H2;1-2H2
InChIKeyVNXIJJRTWKUZBW-UHFFFAOYSA-N
XLogP-2.26
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161350897?
The IUPAC name of CID 161350897 (CID 161350897) is not available.
What is the SMILES notation for CID 161350897?
The canonical SMILES for CID 161350897 is NN.NN=S(=O)=O.
What is the InChIKey of CID 161350897?
The InChIKey is VNXIJJRTWKUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O2S.H4N2/c1-2-5(3)4;1-2/h1H2;1-2H2.
What are the key properties of CID 161350897?
CID 161350897 has a molecular weight of 126.14 g/mol, XLogP of -2.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161350897 is sourced from PubChem (CID 161350897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).