2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol (CED0203254)

Record Information
Version1.0
Creation Date2026-08-23 22:44:56 UTC
Update Date2026-08-23 22:44:56 UTC
Accession NumberCHEM240188
Identification
Common Name2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
ClassSmall Molecule
Description
2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol belongs to the alkylthiols, a subclass of thiols within the organic compounds. This organosulfur compound has the chemical formula C7H16S4 and an average molecular weight of 228.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H16S4
Average Molecular Mass228.500 g/mol
Monoisotopic Mass228.013 g/mol
CAS Registry Number25676-62-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H16S4/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2
InChI KeyXYHKMRNYSMEEDT-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
2362.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
619Manicure PedicurePersonal care & cosmeticsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot 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)12.923
Cytosolic beta-glucosidase structureClick to view 3D structureCytosolic beta-glucosidaseQ9H227HumansPredicted (SEA)12.378
Carboxypeptidase M structureClick to view 3D structureCarboxypeptidase MP14384HumansPredicted (SEA)10.3539
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)3163.25
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)1273.54
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)72.0884
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7562.35
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)215.642
Click to view 3D structureS-ribosylhomocysteine lyaseP45578Escherichia coli K-12Predicted (SEA)189.874
Click to view 3D structureS-ribosylhomocysteine lyaseQ9Z5X1Vibrio campbelliiPredicted (SEA)189.874
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7771.14
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)7760.94
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)285.707
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)377.724
Click to view 3D structureAminodeoxyfutalosine nucleosidaseQ9ZMY2Helicobacter pylori (strain J99 / ATCC 700824) (Campylobacter pylori J99)Predicted (SEA)1379.57
Click to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)6500.41
Click to view 3D structureProstaglandin E2 receptor EP3 subtypeP30557Mus musculusPredicted (SEA)7320.08
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP32240Mus musculusPredicted (SEA)7334.1
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)52.4704
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)7012.5
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)7437.56
Click to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)538.639
Click to view 3D structureMuscarinic acetylcholine receptor M1P12657Mus musculusPredicted (SEA)3708.5
Click to view 3D structureGlutaminase kidney isoform, mitochondrialP13264Rattus norvegicusPredicted (SEA)3814.14
S-ribosylhomocysteine lyase structureClick to view 3D structureS-ribosylhomocysteine lyaseO34667Bacillus subtilis (strain 168)Predicted (SEA)314.199
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available