3-(3-hydroxypropylsulfanyl)propan-1-ol (CED0194579)

Record Information
Version1.0
Creation Date2026-08-23 07:29:01 UTC
Update Date2026-08-23 07:29:01 UTC
Accession NumberCHEM229236
Identification
Common Name3-(3-hydroxypropylsulfanyl)propan-1-ol
ClassSmall Molecule
Description
3-(3-hydroxypropylsulfanyl)propan-1-ol is an organic compound with the formula C6H14O2S and an average molecular weight of 150.24 g/mol. 3-(3-hydroxypropylsulfanyl)propan-1-ol belongs to the dialkylthioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has been found in or released from one recorded source, which is building and construction fencing.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H14O2S
Average Molecular Mass150.240 g/mol
Monoisotopic Mass150.071 g/mol
CAS Registry Number10595-09-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
InChI KeyQRQVZZMTKYXEKC-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
3560.0Log mg/kg[2000:6300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
496FencingBuilding & ConstructionNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)4.5931
Cytosolic beta-glucosidase structureClick to view 3D structureCytosolic beta-glucosidaseQ9H227HumansPredicted (SEA)3.58106
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)622.327
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)131.332
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)16.504
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)17.2825
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)5086.98
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)47.2545
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)75.6694
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)88.281
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)4289.73
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)944.0
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7773.24
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)4352.39
Click to view 3D structureSqualene epoxidaseA7L861Sus scrofaPredicted (SEA)10.6653
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7699.75
Click to view 3D structureGlutaminase kidney isoform, mitochondrialP13264Rattus norvegicusPredicted (SEA)1759.31
Carboxypeptidase M structureClick to view 3D structureCarboxypeptidase MP14384HumansPredicted (SEA)26.4687
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)7287.47
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7774.65
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)151.806
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplasticQ9XFS9Arabidopsis thalianaPredicted (SEA)16.3483
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseQ55663Synechocystis sp. (strain PCC 6803 / Kazusa)Predicted (SEA)16.3483
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)34.1758
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)7733.78
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available