2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate

C2H6O8S2 — CID 88931464

IUPAC2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOSOOO
InChIInChI=1S/C2H6O8S2/c3-9-10-11-7-1-2-8-12(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKeyDVQUGVJVUDJBON-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.19
Rot. Bonds7

About 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate

2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate (PubChem CID 88931464) has the molecular formula C2H6O8S2 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate
PubChem CID88931464
Molecular FormulaC2H6O8S2
Molecular Weight222.20 g/mol
Exact Mass221.95
IUPAC Name2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOSOOO
InChIInChI=1S/C2H6O8S2/c3-9-10-11-7-1-2-8-12(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKeyDVQUGVJVUDJBON-UHFFFAOYSA-N
XLogP-0.19
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate?
The IUPAC name of 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate (CID 88931464) is 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate.
What is the SMILES notation for 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate?
The canonical SMILES for 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate is O=S(=O)(O)OCCOSOOO.
What is the InChIKey of 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate?
The InChIKey is DVQUGVJVUDJBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O8S2/c3-9-10-11-7-1-2-8-12(4,5)6/h3H,1-2H2,(H,4,5,6).
What are the key properties of 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate?
2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate has a molecular weight of 222.20 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trioxidanylsulfanyloxy)ethyl hydrogen sulfate is sourced from PubChem (CID 88931464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).