2-hydroxyethanesulfonate

C4H10O8S2-2 — CID 18931617

IUPAC2-hydroxyethanesulfonate
SMILESO=S(=O)([O-])CCO.O=S(=O)([O-])CCO
InChIInChI=1S/2C2H6O4S/c2*3-1-2-7(4,5)6/h2*3H,1-2H2,(H,4,5,6)/p-2
InChIKeyQKRMFCXDTFLKKT-UHFFFAOYSA-L
MW250.25 g/mol
LogP-2.95
Rot. Bonds4

About 2-hydroxyethanesulfonate

2-hydroxyethanesulfonate (PubChem CID 18931617) has the molecular formula C4H10O8S2-2 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-hydroxyethanesulfonate.

Molecular Properties

Compound Name2-hydroxyethanesulfonate
PubChem CID18931617
Molecular FormulaC4H10O8S2-2
Molecular Weight250.25 g/mol
Exact Mass249.98
IUPAC Name2-hydroxyethanesulfonate
SMILESO=S(=O)([O-])CCO.O=S(=O)([O-])CCO
InChIInChI=1S/2C2H6O4S/c2*3-1-2-7(4,5)6/h2*3H,1-2H2,(H,4,5,6)/p-2
InChIKeyQKRMFCXDTFLKKT-UHFFFAOYSA-L
XLogP-2.95
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

strontium bis(2-hydroxyethanesulfonate)
CID 87367145
calcium bis(3-hydroxypropane-1-sulfonate)
CID 162170471
dilithium;ethane-1,2-disulfonate
CID 87246309
sodium;3-hydroxypropane-1-sulfonate;hydrate
CID 141444099
zinc bis(4-hydroxybutane-1-sulfonate)
CID 88712471
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250
dilithium;ethane-1,2-diol;sulfate
CID 162076441
ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
diazanium;ethane-1,2-diol;sulfate
CID 21328662
disodium;ethane-1,2-diol;sulfate
CID 158719389

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethanesulfonate?
The IUPAC name of 2-hydroxyethanesulfonate (CID 18931617) is 2-hydroxyethanesulfonate.
What is the SMILES notation for 2-hydroxyethanesulfonate?
The canonical SMILES for 2-hydroxyethanesulfonate is O=S(=O)([O-])CCO.O=S(=O)([O-])CCO.
What is the InChIKey of 2-hydroxyethanesulfonate?
The InChIKey is QKRMFCXDTFLKKT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O4S/c2*3-1-2-7(4,5)6/h2*3H,1-2H2,(H,4,5,6)/p-2.
What are the key properties of 2-hydroxyethanesulfonate?
2-hydroxyethanesulfonate has a molecular weight of 250.25 g/mol, XLogP of -2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethanesulfonate is sourced from PubChem (CID 18931617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).