Difluoromethanesulfinic acid (CED0000073)

Record Information

Version

1.0

Creation Date

2026-08-26 00:12:57 UTC

Update Date

2026-08-26 00:12:57 UTC

SynCED ID

CED0000073

Secondary Accession Numbers

CHEM272689

Identification

Common Name

Difluoromethanesulfinic acid

Class

Small Molecule

Description

Difluoromethanesulfinic acid belongs to the sulfinic acids, a subclass of sulfinic acids and derivatives within the organic compounds. It has the formula CH2F2O2S and an average molecular weight of 116.09 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₂F₂O₂S

Average Molecular Mass

116.090 g/mol

Monoisotopic Mass

115.974 g/mol

CAS Registry Number

788145-27-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/CH2F2O2S/c2-1(3)6(4)5/h1H,(H,4,5)

InChI Key

PFTYKBCYTNZWCX-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
261.0 Log mg/kg [150:460]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	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	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.0138 Supporting Reference Compounds 2 E-value 107.51
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.143 Low confidence Statistical Significance 0.9981 Supporting Reference Compounds 372 E-value 7770.29
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.133 Low confidence Statistical Significance 0.9985 Supporting Reference Compounds 407 E-value 7773.56
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.118 Low confidence Statistical Significance 0.0273 Supporting Reference Compounds 1 E-value 212.684
Click to view 3D structure	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	P0C1Q2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.115 Low confidence Statistical Significance 0.6702 Supporting Reference Compounds 1 E-value 5217.45
Click to view 3D structure	Abscisic acid 8'-hydroxylase 3	Q9FH76	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.114 Low confidence Statistical Significance 0.0602 Supporting Reference Compounds 1 E-value 469.042
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.15 Low confidence Statistical Significance 0.9981 Supporting Reference Compounds 201 E-value 7770.36
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.125 Low confidence Statistical Significance 0.1254 Supporting Reference Compounds 3 E-value 976.385
Click to view 3D structure	Histamine oxidase	Q59118	Arthrobacter globiformis	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0794 Supporting Reference Compounds 1 E-value 618.279
Click to view 3D structure	D-alanyl-D-alanine carboxypeptidase	P39045	Actinomadura sp. (strain R39)	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.5355 Supporting Reference Compounds 1 E-value 4169.22
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.109 Applicability Domain 0.115 Low confidence Statistical Significance 0.0454 Supporting Reference Compounds 2 E-value 353.435
Click to view 3D structure	5-lipoxygenase	O49150	Solanum tuberosum	Predicted (SEA)	Prediction Confidence Score 0.109 Applicability Domain 0.15 Low confidence Statistical Significance 0.4605 Supporting Reference Compounds 8 E-value 3584.8
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.115 Low confidence Statistical Significance 0.9941 Supporting Reference Compounds 85 E-value 7739.15
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.118 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 332 E-value 7779.32
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.115 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 53 E-value 7735.72
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.115 Low confidence Statistical Significance 0.9862 Supporting Reference Compounds 39 E-value 7677.33
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.115 Low confidence Statistical Significance 0.981 Supporting Reference Compounds 39 E-value 7637.01
Click to view 3D structure	Mandelate racemase	P11444	Pseudomonas putida	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.107 Low confidence Statistical Significance 0.3112 Supporting Reference Compounds 1 E-value 2422.59
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.107 Low confidence Statistical Significance 0.0114 Supporting Reference Compounds 1 E-value 88.9038
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.107 Low confidence Statistical Significance 0.017 Supporting Reference Compounds 1 E-value 132.032
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.118 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 472 E-value 7782.66
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.115 Low confidence Statistical Significance 0.7849 Supporting Reference Compounds 13 E-value 6110.31
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.115 Low confidence Statistical Significance 0.9727 Supporting Reference Compounds 38 E-value 7572.71
Click to view 3D structure	Metabotropic glutamate receptor 8	P70579	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.115 Low confidence Statistical Significance 0.9476 Supporting Reference Compounds 28 E-value 7377.38
Click to view 3D structure	Metabotropic glutamate receptor 6	P35349	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.115 Low confidence Statistical Significance 0.9431 Supporting Reference Compounds 24 E-value 7341.65