thiadiazole-5-diazonium

C2HN4S+ — CID 134868222

IUPACthiadiazole-5-diazonium
SMILESN#[N+]c1cnns1
InChIInChI=1S/C2HN4S/c3-5-2-1-4-6-7-2/h1H/q+1
InChIKeyOWFYXGAFHXOZIS-UHFFFAOYSA-N
MW113.12 g/mol
LogP1.02
Rot. Bonds

About thiadiazole-5-diazonium

thiadiazole-5-diazonium (PubChem CID 134868222) has the molecular formula C2HN4S+ and a molecular weight of 113.12 g/mol. Its IUPAC name is thiadiazole-5-diazonium.

Molecular Properties

Compound Namethiadiazole-5-diazonium
PubChem CID134868222
Molecular FormulaC2HN4S+
Molecular Weight113.12 g/mol
Exact Mass112.99
IUPAC Namethiadiazole-5-diazonium
SMILESN#[N+]c1cnns1
InChIInChI=1S/C2HN4S/c3-5-2-1-4-6-7-2/h1H/q+1
InChIKeyOWFYXGAFHXOZIS-UHFFFAOYSA-N
XLogP1.02
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-5-diazonium?
The IUPAC name of thiadiazole-5-diazonium (CID 134868222) is thiadiazole-5-diazonium.
What is the SMILES notation for thiadiazole-5-diazonium?
The canonical SMILES for thiadiazole-5-diazonium is N#[N+]c1cnns1.
What is the InChIKey of thiadiazole-5-diazonium?
The InChIKey is OWFYXGAFHXOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN4S/c3-5-2-1-4-6-7-2/h1H/q+1.
What are the key properties of thiadiazole-5-diazonium?
thiadiazole-5-diazonium has a molecular weight of 113.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-5-diazonium is sourced from PubChem (CID 134868222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).