3-(2-nitrophenyl)sulfanylpropanehydrazide

C9H11N3O3S — CID 63582318

IUPAC3-(2-nitrophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3S/c10-11-9(13)5-6-16-8-4-2-1-3-7(8)12(14)15/h1-4H,5-6,10H2,(H,11,13)
InChIKeyYLCMRAXJTYXKSV-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.07
Rot. Bonds5

About 3-(2-nitrophenyl)sulfanylpropanehydrazide

3-(2-nitrophenyl)sulfanylpropanehydrazide (PubChem CID 63582318) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(2-nitrophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(2-nitrophenyl)sulfanylpropanehydrazide
PubChem CID63582318
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name3-(2-nitrophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3S/c10-11-9(13)5-6-16-8-4-2-1-3-7(8)12(14)15/h1-4H,5-6,10H2,(H,11,13)
InChIKeyYLCMRAXJTYXKSV-UHFFFAOYSA-N
XLogP1.07
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.07
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 3-(2-nitrophenyl)sulfanylpropanehydrazide?
The IUPAC name of 3-(2-nitrophenyl)sulfanylpropanehydrazide (CID 63582318) is 3-(2-nitrophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(2-nitrophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(2-nitrophenyl)sulfanylpropanehydrazide is NNC(=O)CCSc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-nitrophenyl)sulfanylpropanehydrazide?
The InChIKey is YLCMRAXJTYXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-11-9(13)5-6-16-8-4-2-1-3-7(8)12(14)15/h1-4H,5-6,10H2,(H,11,13).
What are the key properties of 3-(2-nitrophenyl)sulfanylpropanehydrazide?
3-(2-nitrophenyl)sulfanylpropanehydrazide has a molecular weight of 241.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 63582318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).