1-hydroxy-2-sulfosulfonyloxyethane

C2H6O7S2 — CID 150256319

IUPAC1-hydroxy-2-sulfosulfonyloxyethane
SMILESO=S(=O)(O)S(=O)(=O)OCCO
InChIInChI=1S/C2H6O7S2/c3-1-2-9-11(7,8)10(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKeyGAQBIRLWFQQDQK-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.87
Rot. Bonds4

About 1-hydroxy-2-sulfosulfonyloxyethane

1-hydroxy-2-sulfosulfonyloxyethane (PubChem CID 150256319) has the molecular formula C2H6O7S2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-hydroxy-2-sulfosulfonyloxyethane.

Molecular Properties

Compound Name1-hydroxy-2-sulfosulfonyloxyethane
PubChem CID150256319
Molecular FormulaC2H6O7S2
Molecular Weight206.20 g/mol
Exact Mass205.96
IUPAC Name1-hydroxy-2-sulfosulfonyloxyethane
SMILESO=S(=O)(O)S(=O)(=O)OCCO
InChIInChI=1S/C2H6O7S2/c3-1-2-9-11(7,8)10(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKeyGAQBIRLWFQQDQK-UHFFFAOYSA-N
XLogP-1.87
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

hydron;2-hydroxyethyl sulfate
CID 173263896
2-hydroxyethyl sulfanyl sulfate
CID 155762422
2-hydroxyethyl hydrogen sulfate;N-methylethanamine
CID 175477371
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697
azane;2-hydroxyethyl methyl sulfate
CID 87122976
2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
CID 19028458
2-hydroxyethyl 1-amino-2-hydroxypropane-1-sulfonate
CID 163896631
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
ethane-1,2-diol;3-sulfooxypropyl hydrogen sulfate
CID 129051064
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
2-ethoxyethanol;sulfuric acid
CID 87749123
2-hydroxyethyl chloromethylsulfonylmethanesulfonate
CID 146292498

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-sulfosulfonyloxyethane?
The IUPAC name of 1-hydroxy-2-sulfosulfonyloxyethane (CID 150256319) is 1-hydroxy-2-sulfosulfonyloxyethane.
What is the SMILES notation for 1-hydroxy-2-sulfosulfonyloxyethane?
The canonical SMILES for 1-hydroxy-2-sulfosulfonyloxyethane is O=S(=O)(O)S(=O)(=O)OCCO.
What is the InChIKey of 1-hydroxy-2-sulfosulfonyloxyethane?
The InChIKey is GAQBIRLWFQQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7S2/c3-1-2-9-11(7,8)10(4,5)6/h3H,1-2H2,(H,4,5,6).
What are the key properties of 1-hydroxy-2-sulfosulfonyloxyethane?
1-hydroxy-2-sulfosulfonyloxyethane has a molecular weight of 206.20 g/mol, XLogP of -1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-sulfosulfonyloxyethane is sourced from PubChem (CID 150256319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).