2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid

C4H10O11S4 — CID 87128284

IUPAC2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)OS(=O)(=O)CCS(=O)(=O)O
InChIInChI=1S/C4H10O11S4/c5-16(6,7)1-3-18(11,12)15-19(13,14)4-2-17(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyLNMSJSHOJGHCHC-UHFFFAOYSA-N
MW362.38 g/mol
LogP-2.56
Rot. Bonds8

About 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid

2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid (PubChem CID 87128284) has the molecular formula C4H10O11S4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
PubChem CID87128284
Molecular FormulaC4H10O11S4
Molecular Weight362.38 g/mol
Exact Mass361.91
IUPAC Name2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)OS(=O)(=O)CCS(=O)(=O)O
InChIInChI=1S/C4H10O11S4/c5-16(6,7)1-3-18(11,12)15-19(13,14)4-2-17(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyLNMSJSHOJGHCHC-UHFFFAOYSA-N
XLogP-2.56
TPSA186.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 5-2.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-disulfonic acid;methane
CID 161397392
calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
2-acetyloxysulfonylethanesulfonic acid
CID 174889510
2-trimethylsilyloxysulfonylethanesulfonic acid
CID 87764518
2-(2,3-dimethylbutan-2-yloxysulfonyl)ethanesulfonic acid
CID 90415242
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
2-aminoethanesulfonic acid;iron
CID 174379186
propylsulfonyl propane-1-sulfonate
CID 11031687
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944
ethane-1,2-disulfonic acid;piperazine
CID 174840116
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid?
The IUPAC name of 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid (CID 87128284) is 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid.
What is the SMILES notation for 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid?
The canonical SMILES for 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid is O=S(=O)(O)CCS(=O)(=O)OS(=O)(=O)CCS(=O)(=O)O.
What is the InChIKey of 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid?
The InChIKey is LNMSJSHOJGHCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O11S4/c5-16(6,7)1-3-18(11,12)15-19(13,14)4-2-17(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10).
What are the key properties of 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid?
2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid has a molecular weight of 362.38 g/mol, XLogP of -2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid is sourced from PubChem (CID 87128284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).