2-(2-nitrophenyl)sulfanylacetohydrazide

C8H9N3O3S — CID 2807216

IUPAC2-(2-nitrophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyCZXFCCXLFQCYBK-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-nitrophenyl)sulfanylacetohydrazide

2-(2-nitrophenyl)sulfanylacetohydrazide (PubChem CID 2807216) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(2-nitrophenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2-nitrophenyl)sulfanylacetohydrazide
PubChem CID2807216
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name2-(2-nitrophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyCZXFCCXLFQCYBK-UHFFFAOYSA-N
XLogP0.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-(2-nitrophenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(2-nitrophenyl)sulfanylacetohydrazide (CID 2807216) is 2-(2-nitrophenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(2-nitrophenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(2-nitrophenyl)sulfanylacetohydrazide is NNC(=O)CSc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)sulfanylacetohydrazide?
The InChIKey is CZXFCCXLFQCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12).
What are the key properties of 2-(2-nitrophenyl)sulfanylacetohydrazide?
2-(2-nitrophenyl)sulfanylacetohydrazide has a molecular weight of 227.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)sulfanylacetohydrazide is sourced from PubChem (CID 2807216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).