2-hydroxyethyl sulfanyl sulfate

C2H6O5S2 — CID 155762422

IUPAC2-hydroxyethyl sulfanyl sulfate
SMILESO=S(=O)(OS)OCCO
InChIInChI=1S/C2H6O5S2/c3-1-2-6-9(4,5)7-8/h3,8H,1-2H2
InChIKeyFBJRJCQQQCWMIO-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.90
Rot. Bonds4

About 2-hydroxyethyl sulfanyl sulfate

2-hydroxyethyl sulfanyl sulfate (PubChem CID 155762422) has the molecular formula C2H6O5S2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-hydroxyethyl sulfanyl sulfate.

Molecular Properties

Compound Name2-hydroxyethyl sulfanyl sulfate
PubChem CID155762422
Molecular FormulaC2H6O5S2
Molecular Weight174.20 g/mol
Exact Mass173.97
IUPAC Name2-hydroxyethyl sulfanyl sulfate
SMILESO=S(=O)(OS)OCCO
InChIInChI=1S/C2H6O5S2/c3-1-2-6-9(4,5)7-8/h3,8H,1-2H2
InChIKeyFBJRJCQQQCWMIO-UHFFFAOYSA-N
XLogP-0.90
TPSA72.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;2-hydroxyethyl methyl sulfate
CID 87122976
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
3-hydroxypropyl methyl sulfate
CID 54367099
hydron;2-hydroxyethyl sulfate
CID 173263896
1-hydroxy-2-sulfosulfonyloxyethane
CID 150256319
3-hydroxypropyl sulfo sulfate
CID 87176338
2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
CID 19028458
2-hydroxyethyl pyrazol-1-yl sulfate
CID 87985497
2-hydroxyethyl chloromethylsulfonylmethanesulfonate
CID 146292498
2-hydroxyethyl hydrogen sulfate;N-methylethanamine
CID 175477371
bis(hydroxymethyl) sulfate
CID 142405843
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl sulfanyl sulfate?
The IUPAC name of 2-hydroxyethyl sulfanyl sulfate (CID 155762422) is 2-hydroxyethyl sulfanyl sulfate.
What is the SMILES notation for 2-hydroxyethyl sulfanyl sulfate?
The canonical SMILES for 2-hydroxyethyl sulfanyl sulfate is O=S(=O)(OS)OCCO.
What is the InChIKey of 2-hydroxyethyl sulfanyl sulfate?
The InChIKey is FBJRJCQQQCWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S2/c3-1-2-6-9(4,5)7-8/h3,8H,1-2H2.
What are the key properties of 2-hydroxyethyl sulfanyl sulfate?
2-hydroxyethyl sulfanyl sulfate has a molecular weight of 174.20 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl sulfanyl sulfate is sourced from PubChem (CID 155762422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).