About 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde
2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde (PubChem CID 89346225) has the molecular formula C5H9NOS
and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde.
Molecular Properties
| Compound Name | 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde |
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| PubChem CID | 89346225 |
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| Molecular Formula | C5H9NOS |
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| Molecular Weight | 131.20 g/mol |
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| Exact Mass | 131.04 |
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| IUPAC Name | 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde |
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| SMILES | C=C(CS)NCC=O |
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| InChI | InChI=1S/C5H9NOS/c1-5(4-8)6-2-3-7/h3,6,8H,1-2,4H2 |
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| InChIKey | HCTNRXQTAZESHI-UHFFFAOYSA-N |
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| XLogP | 0.22 |
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| TPSA | 29.10 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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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 |
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| MW ≤ 500 | 131.20 |
| LogP ≤ 5 | 0.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde?
The IUPAC name of 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde (CID 89346225) is 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde.
What is the SMILES notation for 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde?
The canonical SMILES for 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde is C=C(CS)NCC=O.
What is the InChIKey of 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde?
The InChIKey is HCTNRXQTAZESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5(4-8)6-2-3-7/h3,6,8H,1-2,4H2.
What are the key properties of 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde?
2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde has a molecular weight of 131.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylprop-1-en-2-ylamino)acetaldehyde is sourced from PubChem (CID 89346225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).