About 3-mercaptomethyldimethylethoxysilane
3-mercaptomethyldimethylethoxysilane (PubChem CID 57209512) has the molecular formula C5H13OSSi
and a molecular weight of 149.31 g/mol.
Molecular Properties
| Compound Name | 3-mercaptomethyldimethylethoxysilane |
|---|
| PubChem CID | 57209512 |
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| Molecular Formula | C5H13OSSi |
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| Molecular Weight | 149.31 g/mol |
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| Exact Mass | 149.05 |
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| IUPAC Name | — |
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| SMILES | C[Si](C)OCCCS |
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| InChI | InChI=1S/C5H13OSSi/c1-8(2)6-4-3-5-7/h7H,3-5H2,1-2H3 |
|---|
| InChIKey | MMQZCWXWJJVXCG-UHFFFAOYSA-N |
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| XLogP | 1.57 |
|---|
| TPSA | 9.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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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 |
|---|
| MW ≤ 500 | 149.31 |
| LogP ≤ 5 | 1.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-mercaptomethyldimethylethoxysilane?
The IUPAC name of 3-mercaptomethyldimethylethoxysilane (CID 57209512) is not available.
What is the SMILES notation for 3-mercaptomethyldimethylethoxysilane?
The canonical SMILES for 3-mercaptomethyldimethylethoxysilane is C[Si](C)OCCCS.
What is the InChIKey of 3-mercaptomethyldimethylethoxysilane?
The InChIKey is MMQZCWXWJJVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OSSi/c1-8(2)6-4-3-5-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-mercaptomethyldimethylethoxysilane?
3-mercaptomethyldimethylethoxysilane has a molecular weight of 149.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-mercaptomethyldimethylethoxysilane is sourced from PubChem (CID 57209512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).