2-hydroxyethyl 2-hydroxyethanesulfonate

C4H10O5S — CID 18931009

IUPAC2-hydroxyethyl 2-hydroxyethanesulfonate
SMILESO=S(=O)(CCO)OCCO
InChIInChI=1S/C4H10O5S/c5-1-3-9-10(7,8)4-2-6/h5-6H,1-4H2
InChIKeyAGAYPHDAKSVLCP-UHFFFAOYSA-N
MW170.19 g/mol
LogP-1.68
Rot. Bonds5

About 2-hydroxyethyl 2-hydroxyethanesulfonate

2-hydroxyethyl 2-hydroxyethanesulfonate (PubChem CID 18931009) has the molecular formula C4H10O5S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-hydroxyethyl 2-hydroxyethanesulfonate.

Molecular Properties

Compound Name2-hydroxyethyl 2-hydroxyethanesulfonate
PubChem CID18931009
Molecular FormulaC4H10O5S
Molecular Weight170.19 g/mol
Exact Mass170.02
IUPAC Name2-hydroxyethyl 2-hydroxyethanesulfonate
SMILESO=S(=O)(CCO)OCCO
InChIInChI=1S/C4H10O5S/c5-1-3-9-10(7,8)4-2-6/h5-6H,1-4H2
InChIKeyAGAYPHDAKSVLCP-UHFFFAOYSA-N
XLogP-1.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-hydroxyethanesulfonate?
The IUPAC name of 2-hydroxyethyl 2-hydroxyethanesulfonate (CID 18931009) is 2-hydroxyethyl 2-hydroxyethanesulfonate.
What is the SMILES notation for 2-hydroxyethyl 2-hydroxyethanesulfonate?
The canonical SMILES for 2-hydroxyethyl 2-hydroxyethanesulfonate is O=S(=O)(CCO)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-hydroxyethanesulfonate?
The InChIKey is AGAYPHDAKSVLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S/c5-1-3-9-10(7,8)4-2-6/h5-6H,1-4H2.
What are the key properties of 2-hydroxyethyl 2-hydroxyethanesulfonate?
2-hydroxyethyl 2-hydroxyethanesulfonate has a molecular weight of 170.19 g/mol, XLogP of -1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-hydroxyethanesulfonate is sourced from PubChem (CID 18931009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).