2-fluoroethanesulfonic acid (CED0300423)

Record Information

Version

1.0

Creation Date

2026-08-31 14:59:43 UTC

Update Date

2026-08-31 14:59:43 UTC

SynCED ID

CED0300423

Secondary Accession Numbers

CHEM345998

Identification

Common Name

2-fluoroethanesulfonic acid

Class

Small Molecule

Description

2-fluoroethanesulfonic acid is a chemical compound with the formula C2H5FO3S. It has an average molecular weight of 128.13 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂H₅FO₃S

Average Molecular Mass

Not Available

Monoisotopic Mass

127.994 g/mol

CAS Registry Number

77898-47-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(CS(=O)(=O)O)F

InChI Identifier

InChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChI Key

ZDINOLQCUBELQF-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
458.0 Log mg/kg [260:810]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium- and chloride-dependent taurine transporter	P31641	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.556 Statistical Significance 2.00e-05 Supporting Reference Compounds 2 E-value 0.155698
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.294 Low confidence Statistical Significance 0.5691 Supporting Reference Compounds 472 E-value 4430.63
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.294 Low confidence Statistical Significance 0.4077 Supporting Reference Compounds 242 E-value 3174.3
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.49761
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.294 Low confidence Statistical Significance 0.5274 Supporting Reference Compounds 407 E-value 4105.61
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.294 Low confidence Statistical Significance 0.5608 Supporting Reference Compounds 372 E-value 4365.47
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.294 Low confidence Statistical Significance 0.3095 Supporting Reference Compounds 151 E-value 2409.59
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.294 Low confidence Statistical Significance 0.3869 Supporting Reference Compounds 193 E-value 3011.68
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.294 Low confidence Statistical Significance 0.0374 Supporting Reference Compounds 43 E-value 291.545
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.294 Low confidence Statistical Significance 0.0374 Supporting Reference Compounds 41 E-value 291.312
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.222 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 2 E-value 72.0105
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.222 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 2 E-value 72.0105
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.294 Low confidence Statistical Significance 0.0224 Supporting Reference Compounds 22 E-value 174.382
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.231 Low confidence Statistical Significance 0.4219 Supporting Reference Compounds 83 E-value 3284.61
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.231 Low confidence Statistical Significance 0.6723 Supporting Reference Compounds 102 E-value 5233.65
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.172 Low confidence Statistical Significance 0.6969 Supporting Reference Compounds 172 E-value 5425.23
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.996
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.176 Low confidence Statistical Significance 0.1206 Supporting Reference Compounds 44 E-value 938.706
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.176 Low confidence Statistical Significance 0.0955 Supporting Reference Compounds 34 E-value 743.538
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.172 Low confidence Statistical Significance 0.3198 Supporting Reference Compounds 64 E-value 2489.38
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.172 Low confidence Statistical Significance 0.8522 Supporting Reference Compounds 332 E-value 6634.47
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.205 Low confidence Statistical Significance 0.028 Supporting Reference Compounds 8 E-value 217.822
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.206 Low confidence Statistical Significance 0.007 Supporting Reference Compounds 6 E-value 54.1831
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.171 Low confidence Statistical Significance 0.6873 Supporting Reference Compounds 157 E-value 5350.65
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.0071 Supporting Reference Compounds 1 E-value 55.1951