2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide

C9H12FN3OS — CID 63581088

IUPAC2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1ccc(F)cc1N)C(=O)NN
InChIInChI=1S/C9H12FN3OS/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,11-12H2,1H3,(H,13,14)
InChIKeyTYHNKTZHNISING-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide

2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide (PubChem CID 63581088) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide
PubChem CID63581088
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1ccc(F)cc1N)C(=O)NN
InChIInChI=1S/C9H12FN3OS/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,11-12H2,1H3,(H,13,14)
InChIKeyTYHNKTZHNISING-UHFFFAOYSA-N
XLogP0.88
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-4-fluorophenyl)sulfanylpropanehydrazide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide (CID 63581088) is 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide is CC(Sc1ccc(F)cc1N)C(=O)NN.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide?
The InChIKey is TYHNKTZHNISING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,11-12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide?
2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide has a molecular weight of 229.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 63581088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).