1,3,5-Triazine-2,4(1H,3H)-dithione, 6-amino- (CED0185324)

Record Information

Version

1.0

Creation Date

2026-04-03 20:06:08 UTC

Update Date

2026-08-22 12:56:50 UTC

SynCED ID

CED0185324

Secondary Accession Numbers

CHEM067814

Identification

Common Name

1,3,5-Triazine-2,4(1H,3H)-dithione, 6-amino-

Class

Small Molecule

Description

1,3,5-Triazine-2,4(1H,3H)-dithione, 6-amino- belongs to the triazinethiones, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the formula C3H4N4S2 and an average molecular weight of 160.21 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₄N₄S₂

Average Molecular Mass

160.210 g/mol

Monoisotopic Mass

159.988 g/mol

CAS Registry Number

2770-75-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=NC(S)=NC(S)=N1

InChI Identifier

InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)

InChI Key

QQLZTRHXUSFZOM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
743.0 Log mg/kg [420:1300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000624	Merry Go Rounds?Merry-go-rounds, commonly found in playgrounds and recreational areas, can be a source of synthetic chemical contamination primarily due to the materials used in their construction.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	DNA ligase 4	P49917	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 2.10e-04 Supporting Reference Compounds 1 E-value 1.63483
Click to view 3D structure	Histamine H4 receptor	Q91ZY1	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.233 Low confidence Statistical Significance 0.0288 Supporting Reference Compounds 22 E-value 224.05
Click to view 3D structure	Multidrug and toxin extrusion protein 1	Q8K0H1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0097 Supporting Reference Compounds 1 E-value 75.903
Click to view 3D structure	Histamine H4 receptor	Q9H3N8	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.212 Low confidence Statistical Significance 0.4861 Supporting Reference Compounds 150 E-value 3783.94
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.212 Low confidence Statistical Significance 0.2031 Supporting Reference Compounds 89 E-value 1581.04
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.2 Low confidence Statistical Significance 0.1833 Supporting Reference Compounds 82 E-value 1426.82
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.233 Low confidence Statistical Significance 0.7672 Supporting Reference Compounds 303 E-value 5972.75
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.1861 Supporting Reference Compounds 92 E-value 1448.62
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.212 Low confidence Statistical Significance 0.8262 Supporting Reference Compounds 294 E-value 6431.9
Click to view 3D structure	Adenosine transporter 1	Q9Y0I0	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.4623
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.194 Low confidence Statistical Significance 0.4911 Supporting Reference Compounds 156 E-value 3823.56
Click to view 3D structure	Dihydrofolate reductase	P16184	Pneumocystis carinii	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.195 Low confidence Statistical Significance 0.2394 Supporting Reference Compounds 62 E-value 1863.63
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.206 Low confidence Statistical Significance 0.9556 Supporting Reference Compounds 1022 E-value 7439.51
Click to view 3D structure	Dihydrofolate reductase	P22906	Yeast	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.194 Low confidence Statistical Significance 0.0851 Supporting Reference Compounds 25 E-value 662.263
Click to view 3D structure	Dihydrofolate reductase	P00381	Lactobacillus casei	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.2 Low confidence Statistical Significance 0.2412 Supporting Reference Compounds 60 E-value 1877.41
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.212 Low confidence Statistical Significance 0.9139 Supporting Reference Compounds 450 E-value 7114.33
Click to view 3D structure	Phenylalanine-4-hydroxylase	P00439	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 8.60e-04 Supporting Reference Compounds 1 E-value 6.69503
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.2 Low confidence Statistical Significance 0.9734 Supporting Reference Compounds 735 E-value 7577.53
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.179 Low confidence Statistical Significance 0.9751 Supporting Reference Compounds 1029 E-value 7591.16
Click to view 3D structure	Histamine H4 receptor	Q91ZY2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.174 Low confidence Statistical Significance 0.196 Supporting Reference Compounds 21 E-value 1526.23
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	P07382	Leishmania major	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.194 Low confidence Statistical Significance 0.3687 Supporting Reference Compounds 29 E-value 2870.69
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	P13922	Plasmodium falciparum (isolate K1 / Thailand)	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.194 Low confidence Statistical Significance 0.2491 Supporting Reference Compounds 26 E-value 1938.91
Click to view 3D structure	Nitric oxide synthase 3	Q28969	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.171 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 2 E-value 27.9479
Click to view 3D structure	Phenylalanine-4-hydroxylase	P04176	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0167 Supporting Reference Compounds 1 E-value 129.93
Click to view 3D structure	Dihydrofolate reductase	P07807	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.195 Low confidence Statistical Significance 0.0101 Supporting Reference Compounds 5 E-value 78.9391