About dodecyl(dimethyl)sulfanium iodide
dodecyl(dimethyl)sulfanium iodide (PubChem CID 19021065) has the molecular formula C14H31IS
and a molecular weight of 358.37 g/mol. Its IUPAC name is dodecyl(dimethyl)sulfanium iodide.
Molecular Properties
| Compound Name | dodecyl(dimethyl)sulfanium iodide |
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| PubChem CID | 19021065 |
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| Molecular Formula | C14H31IS |
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| Molecular Weight | 358.37 g/mol |
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| Exact Mass | 358.12 |
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| IUPAC Name | dodecyl(dimethyl)sulfanium iodide |
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| SMILES | CCCCCCCCCCCC[S+](C)C.[I-] |
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| InChI | InChI=1S/C14H31S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H/q+1;/p-1 |
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| InChIKey | CWMLLWRTIPJOKV-UHFFFAOYSA-M |
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| XLogP | 1.79 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 16 |
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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 | 358.37 |
| LogP ≤ 5 | 1.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dodecyl(dimethyl)sulfanium iodide?
The IUPAC name of dodecyl(dimethyl)sulfanium iodide (CID 19021065) is dodecyl(dimethyl)sulfanium iodide.
What is the SMILES notation for dodecyl(dimethyl)sulfanium iodide?
The canonical SMILES for dodecyl(dimethyl)sulfanium iodide is CCCCCCCCCCCC[S+](C)C.[I-].
What is the InChIKey of dodecyl(dimethyl)sulfanium iodide?
The InChIKey is CWMLLWRTIPJOKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dodecyl(dimethyl)sulfanium iodide?
dodecyl(dimethyl)sulfanium iodide has a molecular weight of 358.37 g/mol, XLogP of 1.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(dimethyl)sulfanium iodide is sourced from PubChem (CID 19021065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).