About N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide
N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide (PubChem CID 155374527) has the molecular formula C4H11N3S2
and a molecular weight of 165.29 g/mol. Its IUPAC name is N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide.
Molecular Properties
| Compound Name | N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide |
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| PubChem CID | 155374527 |
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| Molecular Formula | C4H11N3S2 |
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| Molecular Weight | 165.29 g/mol |
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| Exact Mass | 165.04 |
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| IUPAC Name | N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide |
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| SMILES | SCC/N=C/NNCS |
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| InChI | InChI=1S/C4H11N3S2/c8-2-1-5-3-6-7-4-9/h3,7-9H,1-2,4H2,(H,5,6) |
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| InChIKey | AYGCHNHKZYUOFN-UHFFFAOYSA-N |
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| XLogP | -0.07 |
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| TPSA | 36.42 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 9 |
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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 | 165.29 |
| LogP ≤ 5 | -0.07 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide?
The IUPAC name of N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide (CID 155374527) is N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide.
What is the SMILES notation for N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide?
The canonical SMILES for N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide is SCC/N=C/NNCS.
What is the InChIKey of N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide?
The InChIKey is AYGCHNHKZYUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S2/c8-2-1-5-3-6-7-4-9/h3,7-9H,1-2,4H2,(H,5,6).
What are the key properties of N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide?
N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide has a molecular weight of 165.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-sulfanylethyl)-N-(sulfanylmethylamino)methanimidamide is sourced from PubChem (CID 155374527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).