(2-nitrothiophen-3-yl)hydrazine

C4H5N3O2S — CID 60920995

IUPAC(2-nitrothiophen-3-yl)hydrazine
SMILESNNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C4H5N3O2S/c5-6-3-1-2-10-4(3)7(8)9/h1-2,6H,5H2
InChIKeyZGVGRPCPLLJZML-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.94
Rot. Bonds2

About (2-nitrothiophen-3-yl)hydrazine

(2-nitrothiophen-3-yl)hydrazine (PubChem CID 60920995) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is (2-nitrothiophen-3-yl)hydrazine.

Molecular Properties

Compound Name(2-nitrothiophen-3-yl)hydrazine
PubChem CID60920995
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name(2-nitrothiophen-3-yl)hydrazine
SMILESNNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C4H5N3O2S/c5-6-3-1-2-10-4(3)7(8)9/h1-2,6H,5H2
InChIKeyZGVGRPCPLLJZML-UHFFFAOYSA-N
XLogP0.94
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (2-nitrothiophen-3-yl)hydrazine?
The IUPAC name of (2-nitrothiophen-3-yl)hydrazine (CID 60920995) is (2-nitrothiophen-3-yl)hydrazine.
What is the SMILES notation for (2-nitrothiophen-3-yl)hydrazine?
The canonical SMILES for (2-nitrothiophen-3-yl)hydrazine is NNc1ccsc1[N+](=O)[O-].
What is the InChIKey of (2-nitrothiophen-3-yl)hydrazine?
The InChIKey is ZGVGRPCPLLJZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-6-3-1-2-10-4(3)7(8)9/h1-2,6H,5H2.
What are the key properties of (2-nitrothiophen-3-yl)hydrazine?
(2-nitrothiophen-3-yl)hydrazine has a molecular weight of 159.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrothiophen-3-yl)hydrazine is sourced from PubChem (CID 60920995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).