1-sulfinylbutane (CED0308874)

Record Information
Version1.0
Creation Date2026-09-01 06:26:29 UTC
Update Date2026-09-01 06:26:29 UTC
Accession NumberCHEM354545
Identification
Common Name1-sulfinylbutane
ClassSmall Molecule
Description
1-sulfinylbutane is a chemical compound with the formula C4H8OS. It has an average molecular weight of 104.17 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC4H8OS
Average Molecular MassNot Available
Monoisotopic Mass104.030 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC=S=O
InChI IdentifierInChI=1S/C4H8OS/c1-2-3-4-6-5/h4H,2-3H2,1H3
InChI KeyBQXJLKVZTDDERJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
393.0Log mg/kg[220:700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)16.1148
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)2589.19
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)1987.88
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)1524.13
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)107.432
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)2277.4
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)3393.6
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)1472.75
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)3806.13
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)1400.35
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)1208.92
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)556.544
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)6601.38
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)6391.42
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)3168.39
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)5776.02
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)2530.64
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)2204.85
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1927.16
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)5014.03
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)737.466
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)25.1453
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)80.029
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)69.5972
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)1506.46
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available