ethane-1,1,1,2-tetrasulfonic acid

C2H6O12S4 — CID 22184362

IUPACethane-1,1,1,2-tetrasulfonic acid
SMILESO=S(=O)(O)CC(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H6O12S4/c3-15(4,5)1-2(16(6,7)8,17(9,10)11)18(12,13)14/h1H2,(H,3,4,5)(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyDBBGGMHAMXWOGQ-UHFFFAOYSA-N
MW350.33 g/mol
LogP-2.81
Rot. Bonds5

About ethane-1,1,1,2-tetrasulfonic acid

ethane-1,1,1,2-tetrasulfonic acid (PubChem CID 22184362) has the molecular formula C2H6O12S4 and a molecular weight of 350.33 g/mol. Its IUPAC name is ethane-1,1,1,2-tetrasulfonic acid.

Molecular Properties

Compound Nameethane-1,1,1,2-tetrasulfonic acid
PubChem CID22184362
Molecular FormulaC2H6O12S4
Molecular Weight350.33 g/mol
Exact Mass349.87
IUPAC Nameethane-1,1,1,2-tetrasulfonic acid
SMILESO=S(=O)(O)CC(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H6O12S4/c3-15(4,5)1-2(16(6,7)8,17(9,10)11)18(12,13)14/h1H2,(H,3,4,5)(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyDBBGGMHAMXWOGQ-UHFFFAOYSA-N
XLogP-2.81
TPSA217.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethane-1,1,1-trisulfonic acid;azane
CID 174764553
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2,2-diamino-2-sulfanylethanesulfonic acid
CID 174638560
2-amino-2-propylpentane-1-sulfonic acid
CID 91619632
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
2-prop-2-ynylpent-4-yne-1,2-disulfonic acid
CID 89235333
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
trimethyl-(2-methyl-1-sulfopropan-2-yl)azanium
CID 158986858
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946
azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid
CID 173312698

Frequently Asked Questions

What is the IUPAC name of ethane-1,1,1,2-tetrasulfonic acid?
The IUPAC name of ethane-1,1,1,2-tetrasulfonic acid (CID 22184362) is ethane-1,1,1,2-tetrasulfonic acid.
What is the SMILES notation for ethane-1,1,1,2-tetrasulfonic acid?
The canonical SMILES for ethane-1,1,1,2-tetrasulfonic acid is O=S(=O)(O)CC(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of ethane-1,1,1,2-tetrasulfonic acid?
The InChIKey is DBBGGMHAMXWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O12S4/c3-15(4,5)1-2(16(6,7)8,17(9,10)11)18(12,13)14/h1H2,(H,3,4,5)(H,6,7,8)(H,9,10,11)(H,12,13,14).
What are the key properties of ethane-1,1,1,2-tetrasulfonic acid?
ethane-1,1,1,2-tetrasulfonic acid has a molecular weight of 350.33 g/mol, XLogP of -2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1,1,2-tetrasulfonic acid is sourced from PubChem (CID 22184362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).