About N-[(Z)-but-2-en-2-yl]sulfanylethanimine
N-[(Z)-but-2-en-2-yl]sulfanylethanimine (PubChem CID 154043838) has the molecular formula C6H11NS
and a molecular weight of 129.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]sulfanylethanimine.
Molecular Properties
| Compound Name | N-[(Z)-but-2-en-2-yl]sulfanylethanimine |
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| PubChem CID | 154043838 |
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| Molecular Formula | C6H11NS |
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| Molecular Weight | 129.23 g/mol |
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| Exact Mass | 129.06 |
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| IUPAC Name | N-[(Z)-but-2-en-2-yl]sulfanylethanimine |
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| SMILES | CC=NS/C(C)=C\C |
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| InChI | InChI=1S/C6H11NS/c1-4-6(3)8-7-5-2/h4-5H,1-3H3/b6-4-,7-5? |
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| InChIKey | WSUJOHVJNBOYQH-ROUKWSBLSA-N |
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| XLogP | 2.65 |
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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 | 2 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 129.23 |
| LogP ≤ 5 | 2.65 |
| 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-2-en-2-yl]sulfanylethanimine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]sulfanylethanimine (CID 154043838) is N-[(Z)-but-2-en-2-yl]sulfanylethanimine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]sulfanylethanimine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]sulfanylethanimine is CC=NS/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]sulfanylethanimine?
The InChIKey is WSUJOHVJNBOYQH-ROUKWSBLSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-6(3)8-7-5-2/h4-5H,1-3H3/b6-4-,7-5?.
What are the key properties of N-[(Z)-but-2-en-2-yl]sulfanylethanimine?
N-[(Z)-but-2-en-2-yl]sulfanylethanimine has a molecular weight of 129.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]sulfanylethanimine is sourced from PubChem (CID 154043838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).