5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione

C2H4N4OS — CID 116996095

IUPAC5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione
SMILESNNc1n[nH]c(=S)o1
InChIInChI=1S/C2H4N4OS/c3-4-1-5-6-2(8)7-1/h3H2,(H,4,5)(H,6,8)
InChIKeyHGOHUZHVUPNTHT-UHFFFAOYSA-N
MW132.15 g/mol
LogP0.02
Rot. Bonds1

About 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione

5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione (PubChem CID 116996095) has the molecular formula C2H4N4OS and a molecular weight of 132.15 g/mol. Its IUPAC name is 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione
PubChem CID116996095
Molecular FormulaC2H4N4OS
Molecular Weight132.15 g/mol
Exact Mass132.01
IUPAC Name5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione
SMILESNNc1n[nH]c(=S)o1
InChIInChI=1S/C2H4N4OS/c3-4-1-5-6-2(8)7-1/h3H2,(H,4,5)(H,6,8)
InChIKeyHGOHUZHVUPNTHT-UHFFFAOYSA-N
XLogP0.02
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 50.02
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione (CID 116996095) is 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione is NNc1n[nH]c(=S)o1.
What is the InChIKey of 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is HGOHUZHVUPNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4OS/c3-4-1-5-6-2(8)7-1/h3H2,(H,4,5)(H,6,8).
What are the key properties of 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione?
5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 132.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 116996095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).