1-(1-methyltetrazol-5-yl)sulfanylpropan-2-one (CED0310112)

Record Information
Version1.0
Creation Date2026-09-01 08:12:45 UTC
Update Date2026-09-01 08:12:45 UTC
Accession NumberCHEM355819
Identification
Common Name1-(1-methyltetrazol-5-yl)sulfanylpropan-2-one
ClassSmall Molecule
Description
1-(1-methyltetrazol-5-yl)sulfanylpropan-2-one is a chemical compound with the formula C5H8N4OS. It has an average molecular weight of 172.21 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H8N4OS
Average Molecular MassNot Available
Monoisotopic Mass172.042 g/mol
CAS Registry Number80087-26-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)CSC1=NN=NN1C
InChI IdentifierInChI=1S/C5H8N4OS/c1-4(10)3-11-5-6-7-8-9(5)2/h3H2,1-2H3
InChI KeySRWOHNSVTLKUQP-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
610.0Log mg/kg[340:1100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLong-chain fatty acid transport protein 1Q60714Mus musculusPredicted (SEA)24.2111
Click to view 3D structureAlkaline phosphatase, germ cell typeP10696HumansPredicted (SEA)38.5354
5'-3' exonuclease PLD3 structureClick to view 3D structure5'-3' exonuclease PLD3Q8IV08HumansPredicted (SEA)37.5233
Click to view 3D structureLong-chain fatty acid transport protein 1Q6PCB7HumansPredicted (SEA)40.793
Click to view 3D structureHydroxymethylglutaryl-CoA synthase, cytoplasmicP17425Rattus norvegicusPredicted (SEA)3.42537
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)48.4222
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)69.5194
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)1877.96
Alkaline phosphatase, tissue-nonspecific isozyme structureClick to view 3D structureAlkaline phosphatase, tissue-nonspecific isozymeP05186HumansPredicted (SEA)605.589
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)3346.5
Lysine-specific demethylase 5C structureClick to view 3D structureLysine-specific demethylase 5CP41229HumansPredicted (SEA)831.585
26S proteasome non-ATPase regulatory subunit 10 structureClick to view 3D structure26S proteasome non-ATPase regulatory subunit 10O75832HumansPredicted (SEA)108.522
Glutamate receptor 4 structureClick to view 3D structureGlutamate receptor 4P19493Rattus norvegicusPredicted (SEA)47.0988
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)6787.05
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)2119.21
Click to view 3D structureDiacylglycerol lipase-alphaQ9Y4D2HumansPredicted (SEA)1135.2
Click to view 3D structureCollagenase ColAQ81BJ6Bacillus cereusPredicted (SEA)243.123
Phospholipase A-2-activating protein structureClick to view 3D structurePhospholipase A-2-activating proteinQ9Y263HumansPredicted (SEA)190.108
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)2999.69
Photoreceptor-specific nuclear receptor structureClick to view 3D structurePhotoreceptor-specific nuclear receptorQ9Y5X4HumansPredicted (SEA)3130.78
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)6887.09
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7611.24
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)3048.81
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)3860.08
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)3416.26
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available