About methylsulfonylsulfonylsulfonylmethane
methylsulfonylsulfonylsulfonylmethane (PubChem CID 154059611) has the molecular formula C2H6O6S3
and a molecular weight of 222.26 g/mol. Its IUPAC name is methylsulfonylsulfonylsulfonylmethane.
Molecular Properties
| Compound Name | methylsulfonylsulfonylsulfonylmethane |
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| PubChem CID | 154059611 |
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| Molecular Formula | C2H6O6S3 |
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| Molecular Weight | 222.26 g/mol |
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| Exact Mass | 221.93 |
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| IUPAC Name | methylsulfonylsulfonylsulfonylmethane |
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| SMILES | CS(=O)(=O)S(=O)(=O)S(C)(=O)=O |
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| InChI | InChI=1S/C2H6O6S3/c1-9(3,4)11(7,8)10(2,5)6/h1-2H3 |
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| InChIKey | NIWKXCIWWOTLKA-UHFFFAOYSA-N |
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| XLogP | -1.68 |
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| TPSA | 102.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 222.26 |
| LogP ≤ 5 | -1.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'disulphide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methylsulfonylsulfonylsulfonylmethane?
The IUPAC name of methylsulfonylsulfonylsulfonylmethane (CID 154059611) is methylsulfonylsulfonylsulfonylmethane.
What is the SMILES notation for methylsulfonylsulfonylsulfonylmethane?
The canonical SMILES for methylsulfonylsulfonylsulfonylmethane is CS(=O)(=O)S(=O)(=O)S(C)(=O)=O.
What is the InChIKey of methylsulfonylsulfonylsulfonylmethane?
The InChIKey is NIWKXCIWWOTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S3/c1-9(3,4)11(7,8)10(2,5)6/h1-2H3.
What are the key properties of methylsulfonylsulfonylsulfonylmethane?
methylsulfonylsulfonylsulfonylmethane has a molecular weight of 222.26 g/mol, XLogP of -1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfonylsulfonylmethane is sourced from PubChem (CID 154059611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).