(2R)-3-sulfanylpropane-1,2-diol (CED0149224)

Record Information
Version1.0
Creation Date2026-04-05 11:43:34 UTC
Update Date2026-04-13 22:31:35 UTC
Accession NumberCHEM100505
Identification
Common Name(2R)-3-sulfanylpropane-1,2-diol
ClassSmall Molecule
Description
(2R)-3-sulfanylpropane-1,2-diol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C3H8O2S and an average molecular weight of 108.16 g/mol. It is categorized as an organic oxygen compound and an organooxygen compound. Regarding its occurrences, (2R)-3-sulfanylpropane-1,2-diol is found in or released from two recorded sources: household cleaning and consumer products, specifically pipe accessories and tobacco product cases. In terms of biological activity, it has one recorded protein target, which is prolyl endopeptidase (PREP).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC3H8O2S
Average Molecular Mass108.160 g/mol
Monoisotopic Mass108.025 g/mol
CAS Registry Number16495-21-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC[C@@H](O)CS
InChI IdentifierInChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1
InChI KeyPJUIMOJAAPLTRJ-GSVOUGTGSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000t-9000000000-4cd9f73750a06fa23948Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-3900000000-512a5a503dd4026c583dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9400000000-cf03658081085c959817Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fs-9000000000-fedf74311cd216b18075Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9800000000-9bfec54c8bf64d48f4d0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9300000000-6da4431446d64dc341e3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05gl-9000000000-bcb11731c61011d53b5aNot AvailableView Spectrum
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
725.0Log mg/kg[410:1300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)10.5875
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)1.40129
Click to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)955.132
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2C7C422Klebsiella pneumoniaePredicted (SEA)281.658
Click to view 3D structureG protein-activated inward rectifier potassium channel 1P48549HumansPredicted (SEA)40.0145
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)1379.1
Carboxypeptidase M structureClick to view 3D structureCarboxypeptidase MP14384HumansPredicted (SEA)10.3539
Click to view 3D structureBeta-galactosidaseQ58D55Bos taurusPredicted (SEA)138.105
Click to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)784.954
Click to view 3D structureUncharacterized proteinI3LIR5Sus scrofaPredicted (SEA)7.16213
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)24.2111
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)5200.41
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)3753.42
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)79.4841
Click to view 3D structure6-phosphogluconolactonaseQ9GRG6Trypanosoma bruceiPredicted (SEA)26.3909
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)4038.27
Click to view 3D structurePhosphoheptose isomeraseQ93UJ2Burkholderia pseudomallei (strain K96243)Predicted (SEA)11.2881
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)76.915
Click to view 3D structureFructose-bisphosphate aldolase, glycosomalP07752Trypanosoma brucei bruceiPredicted (SEA)16.1148
Click to view 3D structureAminopeptidase BO09175Rattus norvegicusPredicted (SEA)1474.07
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)1671.81
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)5751.81
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)7643.39
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)4577.53
Click to view 3D structureCarboxypeptidase A1P00730Bos taurusPredicted (SEA)2383.04
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available