2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite

C6H13FO3S2 — CID 59335546

IUPAC2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite
SMILESCCOCCS(=O)(=O)CCSF
InChIInChI=1S/C6H13FO3S2/c1-2-10-3-5-12(8,9)6-4-11-7/h2-6H2,1H3
InChIKeyVXIKLIMAGUEAHU-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.06
Rot. Bonds7

About 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite

2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite (PubChem CID 59335546) has the molecular formula C6H13FO3S2 and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite
PubChem CID59335546
Molecular FormulaC6H13FO3S2
Molecular Weight216.30 g/mol
Exact Mass216.03
IUPAC Name2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite
SMILESCCOCCS(=O)(=O)CCSF
InChIInChI=1S/C6H13FO3S2/c1-2-10-3-5-12(8,9)6-4-11-7/h2-6H2,1H3
InChIKeyVXIKLIMAGUEAHU-UHFFFAOYSA-N
XLogP1.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite?
The IUPAC name of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite (CID 59335546) is 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite.
What is the SMILES notation for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite?
The canonical SMILES for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite is CCOCCS(=O)(=O)CCSF.
What is the InChIKey of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite?
The InChIKey is VXIKLIMAGUEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S2/c1-2-10-3-5-12(8,9)6-4-11-7/h2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite?
2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite has a molecular weight of 216.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite is sourced from PubChem (CID 59335546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).