About 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine (PubChem CID 82470792) has the molecular formula C11H18N2S
and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine.
Molecular Properties
| Compound Name | 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine |
| PubChem CID | 82470792 |
| Molecular Formula | C11H18N2S |
| Molecular Weight | 210.35 g/mol |
| Exact Mass | 210.12 |
| IUPAC Name | 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine |
| SMILES | CC(C)Sc1ccc(C(C)NN)cc1 |
| InChI | InChI=1S/C11H18N2S/c1-8(2)14-11-6-4-10(5-7-11)9(3)13-12/h4-9,13H,12H2,1-3H3 |
| InChIKey | DYQVCMDYPJNDJZ-UHFFFAOYSA-N |
| XLogP | 2.71 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 210.35 |
| LogP ≤ 5 | 2.71 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine?
The IUPAC name of 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine (CID 82470792) is 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine.
What is the SMILES notation for 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine?
The canonical SMILES for 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine is CC(C)Sc1ccc(C(C)NN)cc1.
What is the InChIKey of 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine?
The InChIKey is DYQVCMDYPJNDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)14-11-6-4-10(5-7-11)9(3)13-12/h4-9,13H,12H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine?
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine has a molecular weight of 210.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine is sourced from PubChem (CID 82470792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).