1-[butylsulfanyl(methyl)phosphoryl]oxybutane (CED0315868)

Record Information
Version1.0
Creation Date2026-09-01 16:47:37 UTC
Update Date2026-09-01 16:47:37 UTC
Accession NumberCHEM361817
Identification
Common Name1-[butylsulfanyl(methyl)phosphoryl]oxybutane
ClassSmall Molecule
Description
1-[butylsulfanyl(methyl)phosphoryl]oxybutane is a chemical compound with the formula C9H21O2PS. It has an average molecular weight of 224.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H21O2PS
Average Molecular MassNot Available
Monoisotopic Mass224.100 g/mol
CAS Registry Number15536-25-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCOP(=O)(C)SCCCC
InChI IdentifierInChI=1S/C9H21O2PS/c1-4-6-8-11-12(3,10)13-9-7-5-2/h4-9H2,1-3H3
InChI KeyOLNWHPYZGKSVEV-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
13.0Log mg/kg[7:23]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)0.389246
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)0.233548
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)15.2584
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)12.378
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseP9WNS3Mycobacterium tuberculosisPredicted (SEA)0.233548
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)27.6365
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)10.0426
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)17.7496
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)12.4559
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)144.021
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)306.025
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)177.963
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)10.821
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)35.0322
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)183.568
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)158.267
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)14.4021
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)307.427
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)8.87481
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)1926.22
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)29.3492
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)19.5402
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)235.65
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)21.6421
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)5734.06
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available