2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid (CED0310546)

Record Information
Version1.0
Creation Date2026-09-01 08:48:05 UTC
Update Date2026-09-01 08:48:05 UTC
Accession NumberCHEM356264
Identification
Common Name2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
ClassSmall Molecule
Description
2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid is a chemical compound with the formula C6H10N2O2S2. It has an average molecular weight of 206.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H10N2O2S2
Average Molecular MassNot Available
Monoisotopic Mass206.018 g/mol
CAS Registry Number3655-88-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN1CN(CSC1=S)CC(=O)O
InChI IdentifierInChI=1S/C6H10N2O2S2/c1-7-3-8(2-5(9)10)4-12-6(7)11/h2-4H2,1H3,(H,9,10)
InChI KeyRNEWOGXVMQIGRH-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
771.0Log mg/kg[430:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
596AcaricidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)284.539
Click to view 3D structureAldo-keto reductase family 1 member B1P16116Bos taurusPredicted (SEA)52.2368
Click to view 3D structureIon channel NompCQ7T1G6Danio rerioPredicted (SEA)25.1453
Click to view 3D structureDolichyl-phosphate-mannose--protein mannosyltransferase 1O74189Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)62.0458
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)455.418
Click to view 3D structure5-hydroxytryptamine receptor 2AP50128Macaca mulattaPredicted (SEA)171.735
Click to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)3433.07
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)4191.95
Click to view 3D structureHomeobox-leucine zipper protein PROTODERMAL FACTOR 2Q93V99Arabidopsis thalianaPredicted (SEA)41.2601
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)6317.62
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)1575.2
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)6356.08
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)2468.13
Click to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)442.884
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)5230.92
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)3337.47
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7454.84
Click to view 3D structureAldo-keto reductase family 1 member B7Q5RJP0Rattus norvegicusPredicted (SEA)27.0915
Click to view 3D structurePoly(ADP-ribose) glycohydrolaseI6L8L7Tetrahymena thermophilaPredicted (SEA)75.1245
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)6665.06
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)6127.43
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)1037.26
Click to view 3D structureN-acetyltransferase EisP9WFK7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)326.811
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)6348.68
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)6653.38
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available