About N-[(Z)-but-1-enyl]sulfanylmethanimine
N-[(Z)-but-1-enyl]sulfanylmethanimine (PubChem CID 139565663) has the molecular formula C5H9NS
and a molecular weight of 115.20 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]sulfanylmethanimine.
Molecular Properties
| Compound Name | N-[(Z)-but-1-enyl]sulfanylmethanimine |
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| PubChem CID | 139565663 |
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| Molecular Formula | C5H9NS |
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| Molecular Weight | 115.20 g/mol |
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| Exact Mass | 115.05 |
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| IUPAC Name | N-[(Z)-but-1-enyl]sulfanylmethanimine |
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| SMILES | C=NS/C=C\CC |
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| InChI | InChI=1S/C5H9NS/c1-3-4-5-7-6-2/h4-5H,2-3H2,1H3/b5-4- |
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| InChIKey | OYXFRAVWNUJMKK-PLNGDYQASA-N |
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| XLogP | 2.26 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 115.20 |
| LogP ≤ 5 | 2.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(Z)-but-1-enyl]sulfanylmethanimine?
The IUPAC name of N-[(Z)-but-1-enyl]sulfanylmethanimine (CID 139565663) is N-[(Z)-but-1-enyl]sulfanylmethanimine.
What is the SMILES notation for N-[(Z)-but-1-enyl]sulfanylmethanimine?
The canonical SMILES for N-[(Z)-but-1-enyl]sulfanylmethanimine is C=NS/C=C\CC.
What is the InChIKey of N-[(Z)-but-1-enyl]sulfanylmethanimine?
The InChIKey is OYXFRAVWNUJMKK-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NS/c1-3-4-5-7-6-2/h4-5H,2-3H2,1H3/b5-4-.
What are the key properties of N-[(Z)-but-1-enyl]sulfanylmethanimine?
N-[(Z)-but-1-enyl]sulfanylmethanimine has a molecular weight of 115.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]sulfanylmethanimine is sourced from PubChem (CID 139565663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).