1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane

C6H14O4S3 — CID 58341009

IUPAC1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane
SMILES[3H]SOSCCS(=O)(=O)CCOCC
InChIInChI=1S/C6H14O4S3/c1-2-9-3-5-13(7,8)6-4-12-10-11/h11H,2-6H2,1H3/i/hT
InChIKeySLECTUZMRQWFDN-MNYXATJNSA-N
MW248.38 g/mol
LogP0.95
Rot. Bonds9

About 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane

1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane (PubChem CID 58341009) has the molecular formula C6H14O4S3 and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane
PubChem CID58341009
Molecular FormulaC6H14O4S3
Molecular Weight248.38 g/mol
Exact Mass248.01
IUPAC Name1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane
SMILES[3H]SOSCCS(=O)(=O)CCOCC
InChIInChI=1S/C6H14O4S3/c1-2-9-3-5-13(7,8)6-4-12-10-11/h11H,2-6H2,1H3/i/hT
InChIKeySLECTUZMRQWFDN-MNYXATJNSA-N
XLogP0.95
TPSA52.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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1-(Methylsulfonyl)-2-[2-(methylsulfonyl)ethoxy]ethane
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2-(Methoxymethyl)-1,3-dithiolane 1,1,3,3-tetraoxide
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1-Ethoxy-2-[2-(2-ethoxyethylsulfonyl)ethylsulfonyl]ethane
CID 310813
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CID 91704070

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane?
The IUPAC name of 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane (CID 58341009) is 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane.
What is the SMILES notation for 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane?
The canonical SMILES for 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane is [3H]SOSCCS(=O)(=O)CCOCC.
What is the InChIKey of 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane?
The InChIKey is SLECTUZMRQWFDN-MNYXATJNSA-N. The full InChI is InChI=1S/C6H14O4S3/c1-2-9-3-5-13(7,8)6-4-12-10-11/h11H,2-6H2,1H3/i/hT.
What are the key properties of 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane?
1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane has a molecular weight of 248.38 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-tritiosulfanyloxysulfanylethylsulfonyl)ethane is sourced from PubChem (CID 58341009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).