[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide

C8H7N8OS- — CID 22896007

IUPAC[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide
SMILES[N-]=N/N=C/ONc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C8H7N8OS/c9-13-10-5-17-12-6-1-3-7(4-2-6)16-8(18)11-14-15-16/h1-5,12H,(H,11,15,18)/q-1/b10-5+
InChIKeyCQKYBSTWNHFLQL-BJMVGYQFSA-N
MW263.27 g/mol
LogP1.63
Rot. Bonds5

About [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide

[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide (PubChem CID 22896007) has the molecular formula C8H7N8OS- and a molecular weight of 263.27 g/mol. Its IUPAC name is [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide.

Molecular Properties

Compound Name[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide
PubChem CID22896007
Molecular FormulaC8H7N8OS-
Molecular Weight263.27 g/mol
Exact Mass263.05
IUPAC Name[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide
SMILES[N-]=N/N=C/ONc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C8H7N8OS/c9-13-10-5-17-12-6-1-3-7(4-2-6)16-8(18)11-14-15-16/h1-5,12H,(H,11,15,18)/q-1/b10-5+
InChIKeyCQKYBSTWNHFLQL-BJMVGYQFSA-N
XLogP1.63
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide?
The IUPAC name of [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide (CID 22896007) is [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide.
What is the SMILES notation for [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide?
The canonical SMILES for [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide is [N-]=N/N=C/ONc1ccc(-n2[nH]nnc2=S)cc1.
What is the InChIKey of [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide?
The InChIKey is CQKYBSTWNHFLQL-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H7N8OS/c9-13-10-5-17-12-6-1-3-7(4-2-6)16-8(18)11-14-15-16/h1-5,12H,(H,11,15,18)/q-1/b10-5+.
What are the key properties of [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide?
[(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide has a molecular weight of 263.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]oxymethylidenehydrazinylidene]azanide is sourced from PubChem (CID 22896007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).