About 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane (PubChem CID 23516617) has the molecular formula C23H48O4S6
and a molecular weight of 581.04 g/mol. Its IUPAC name is 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane.
Molecular Properties
| Compound Name | 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane |
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| PubChem CID | 23516617 |
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| Molecular Formula | C23H48O4S6 |
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| Molecular Weight | 581.04 g/mol |
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| Exact Mass | 580.19 |
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| IUPAC Name | 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane |
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| SMILES | CSCCCSCCOCCOCCSCCCSCCOCCOCCSCCCSC |
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| InChI | InChI=1S/C23H48O4S6/c1-28-14-3-16-30-20-10-24-6-8-26-12-22-32-18-5-19-33-23-13-27-9-7-25-11-21-31-17-4-15-29-2/h3-23H2,1-2H3 |
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| InChIKey | YPSUUENKHFNNRP-UHFFFAOYSA-N |
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| XLogP | 5.88 |
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| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 30 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 581.04 |
| LogP ≤ 5 | 5.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane?
The IUPAC name of 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane (CID 23516617) is 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane.
What is the SMILES notation for 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane?
The canonical SMILES for 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane is CSCCCSCCOCCOCCSCCCSCCOCCOCCSCCCSC.
What is the InChIKey of 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane?
The InChIKey is YPSUUENKHFNNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4S6/c1-28-14-3-16-30-20-10-24-6-8-26-12-22-32-18-5-19-33-23-13-27-9-7-25-11-21-31-17-4-15-29-2/h3-23H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane?
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane has a molecular weight of 581.04 g/mol, XLogP of 5.88, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane is sourced from PubChem (CID 23516617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).