About N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide
N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide (PubChem CID 6342890) has the molecular formula C9H12N2OS
and a molecular weight of 196.28 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide.
Molecular Properties
| Compound Name | N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide |
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| PubChem CID | 6342890 |
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| Molecular Formula | C9H12N2OS |
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| Molecular Weight | 196.28 g/mol |
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| Exact Mass | 196.07 |
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| IUPAC Name | N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide |
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| SMILES | Cc1ccc(SC/C(N)=N\O)cc1 |
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| InChI | InChI=1S/C9H12N2OS/c1-7-2-4-8(5-3-7)13-6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11) |
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| InChIKey | OVWQJYAGYNUWBN-UHFFFAOYSA-N |
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| XLogP | 1.83 |
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| TPSA | 58.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 196.28 |
| LogP ≤ 5 | 1.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide (CID 6342890) is N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide is Cc1ccc(SC/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide?
The InChIKey is OVWQJYAGYNUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-2-4-8(5-3-7)13-6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide?
N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide has a molecular weight of 196.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylphenyl)sulfanylethanimidamide is sourced from PubChem (CID 6342890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).