Cyclobutanesulfinic acid (CED0000135)

Record Information

Version

1.0

Creation Date

2026-08-22 18:59:06 UTC

Update Date

2026-08-22 18:59:06 UTC

SynCED ID

CED0000135

Secondary Accession Numbers

CHEM219836

Identification

Common Name

Cyclobutanesulfinic acid

Class

Small Molecule

Description

Cyclobutanesulfinic acid belongs to the sulfinic acids, a subclass of sulfinic acids and derivatives within the organic compounds. It has the chemical formula C4H8O2S and an average molecular weight of 120.17 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₈O₂S

Average Molecular Mass

120.170 g/mol

Monoisotopic Mass

120.025 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)

InChI Key

WINLKCZFDQUZHI-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
2785.0 Log mg/kg [1600:5000]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	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
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	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	All-trans-retinol dehydrogenase [NAD(+)] ADH4	P08319	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.207 Low confidence Statistical Significance 9.50e-04 Supporting Reference Compounds 1 E-value 7.39568
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.2 Low confidence Statistical Significance 0.7361 Supporting Reference Compounds 400 E-value 5730.87
Click to view 3D structure	Ornithine aminotransferase, mitochondrial	P04181	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.004 Supporting Reference Compounds 1 E-value 30.9061
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.2 Low confidence Statistical Significance 0.8036 Supporting Reference Compounds 472 E-value 6256.04
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.2 Low confidence Statistical Significance 0.7586 Supporting Reference Compounds 407 E-value 5905.8
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.2 Low confidence Statistical Significance 0.7651 Supporting Reference Compounds 372 E-value 5956.32
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.2 Low confidence Statistical Significance 0.7437 Supporting Reference Compounds 332 E-value 5789.72
Click to view 3D structure	Alcohol dehydrogenase 1A	P07327	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.24 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 8 E-value 11.7552
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.194 Low confidence Statistical Significance 0.6544 Supporting Reference Compounds 109 E-value 5094.3
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.2 Low confidence Statistical Significance 0.8359 Supporting Reference Compounds 258 E-value 6507.18
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.194 Low confidence Statistical Significance 0.9397 Supporting Reference Compounds 373 E-value 7315.57
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.194 Low confidence Statistical Significance 0.9002 Supporting Reference Compounds 297 E-value 7008.38
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.194 Low confidence Statistical Significance 0.562 Supporting Reference Compounds 98 E-value 4374.81
Click to view 3D structure	Epoxide hydrolase 1	Q9D379	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.189 Low confidence Statistical Significance 0.123 Supporting Reference Compounds 8 E-value 957.545
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.194 Low confidence Statistical Significance 0.642 Supporting Reference Compounds 38 E-value 4997.84
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.194 Low confidence Statistical Significance 0.9718 Supporting Reference Compounds 385 E-value 7565.47
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.194 Low confidence Statistical Significance 0.902 Supporting Reference Compounds 200 E-value 7021.92
Click to view 3D structure	Alpha-1,2-mannosidase (BT_3990)	Q8A0N1	Bacteroides thetaiotaomicron	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.1991
Click to view 3D structure	Epoxide hydrolase 1	P07099	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.162 Low confidence Statistical Significance 0.4679 Supporting Reference Compounds 18 E-value 3642.8
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.176 Low confidence Statistical Significance 0.9492 Supporting Reference Compounds 292 E-value 7389.14
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.156 Low confidence Statistical Significance 0.9161 Supporting Reference Compounds 129 E-value 7131.85
Click to view 3D structure	Dipeptidyl peptidase 2	Q9UHL4	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.156 Low confidence Statistical Significance 0.7289 Supporting Reference Compounds 41 E-value 5674.51
Click to view 3D structure	Scm-like with four MBT domains protein 1	Q9UHJ3	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.167 Low confidence Statistical Significance 0.2127 Supporting Reference Compounds 4 E-value 1655.62
Click to view 3D structure	PHD finger protein 23	Q9BUL5	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.167 Low confidence Statistical Significance 0.2127 Supporting Reference Compounds 4 E-value 1655.62
Click to view 3D structure	Lethal(3)malignant brain tumor-like protein 4	Q8NA19	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.167 Low confidence Statistical Significance 0.2127 Supporting Reference Compounds 4 E-value 1655.62