Cyanomethyl n-methyl-n-pyridin-4-ylcarbamodithioate (CED0316348)

Record Information

Version

1.0

Creation Date

2026-09-01 17:36:15 UTC

Update Date

2026-09-01 17:36:15 UTC

SynCED ID

CED0316348

Secondary Accession Numbers

CHEM362328

Identification

Common Name

Cyanomethyl n-methyl-n-pyridin-4-ylcarbamodithioate

Class

Small Molecule

Description

Cyanomethyl n-methyl-n-pyridin-4-ylcarbamodithioate is a chemical compound with the formula C9H9N3S2. It has an average molecular weight of 223.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉N₃S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

223.024 g/mol

CAS Registry Number

1158958-89-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN(C1=CC=NC=C1)C(=S)SCC#N

InChI Identifier

InChI=1S/C9H9N3S2/c1-12(9(13)14-7-4-10)8-2-5-11-6-3-8/h2-3,5-6H,7H2,1H3

InChI Key

URLWWHOJXDIKQC-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
590.0 Log mg/kg [330:1000]	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
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	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
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	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	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.216 Low confidence Statistical Significance 0.8463 Supporting Reference Compounds 861 E-value 6588.69
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4A	O89085	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.226 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 1 E-value 27.6365
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.267 Low confidence Statistical Significance 0.1356 Supporting Reference Compounds 76 E-value 1055.48
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.239 Low confidence Statistical Significance 0.7869 Supporting Reference Compounds 825 E-value 6126.19
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.281 Low confidence Statistical Significance 0.5891 Supporting Reference Compounds 451 E-value 4586.49
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.239 Low confidence Statistical Significance 0.8868 Supporting Reference Compounds 1130 E-value 6903.67
Click to view 3D structure	Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1	Q9HAN9	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.427
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.239 Low confidence Statistical Significance 0.9282 Supporting Reference Compounds 1245 E-value 7225.96
Click to view 3D structure	Carbamate kinase	O97438	Giardia intestinalis	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.239 Low confidence Statistical Significance 0.8888 Supporting Reference Compounds 793 E-value 6919.55
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.22 Low confidence Statistical Significance 0.8421 Supporting Reference Compounds 811 E-value 6555.99
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.22 Low confidence Statistical Significance 0.8874 Supporting Reference Compounds 1157 E-value 6908.5
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.216 Low confidence Statistical Significance 0.7057 Supporting Reference Compounds 373 E-value 5493.66
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.209 Low confidence Statistical Significance 0.9569 Supporting Reference Compounds 1538 E-value 7449.47
Click to view 3D structure	Lysine-specific demethylase 4C	Q9H3R0	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.225 Low confidence Statistical Significance 0.2874 Supporting Reference Compounds 72 E-value 2237.78
Click to view 3D structure	Cell division cycle 7-related protein kinase	O00311	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.7469 Supporting Reference Compounds 407 E-value 5814.48
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8771 Supporting Reference Compounds 834 E-value 6827.84
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8665 Supporting Reference Compounds 735 E-value 6745.32
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8923 Supporting Reference Compounds 967 E-value 6946.17
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8617 Supporting Reference Compounds 714 E-value 6708.5
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8943 Supporting Reference Compounds 1029 E-value 6961.98
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8624 Supporting Reference Compounds 742 E-value 6714.03
Click to view 3D structure	Homeodomain-interacting protein kinase 2	Q9H2X6	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8043 Supporting Reference Compounds 505 E-value 6261.72
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8316 Supporting Reference Compounds 550 E-value 6473.86
Click to view 3D structure	Interleukin-1 receptor-associated kinase 4	Q9NWZ3	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.22 Low confidence Statistical Significance 0.8521 Supporting Reference Compounds 682 E-value 6633.3