[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] n-methylcarbamate (CED0065289)

Record Information

Version

1.0

Creation Date

2026-08-25 14:57:10 UTC

Update Date

2026-08-25 14:57:10 UTC

Accession Number

CHEM266382

Identification

Common Name

[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] n-methylcarbamate

Class

Small Molecule

Description

[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] n-methylcarbamate belongs to the carboximidic acids and derivatives, a class of organic acids and derivatives within the organic compounds. This compound has the chemical formula C9H18N2O2S and an average molecular weight of 218.32 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₈N₂O₂S

Average Molecular Mass

218.320 g/mol

Monoisotopic Mass

218.109 g/mol

CAS Registry Number

39196-18-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)

InChI Key

FZSVSABTBYGOQH-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01di-4970000000-07a8acd1d0607d1167c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-057i-7910000000-fdcfb7561afe7bad417b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05q9-9400000000-fc3f0f68c464b85d9b84	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9320000000-de548d0884c3a1c2de74	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9200000000-1f6ca033bdc12653a73a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-042cb642e8b7f27c7d3a	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
19.0	Log mg/kg	[10:33]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available

Pathways

0 pathways

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	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	15.8034
Click to view 3D structure	Protein-S-isoprenylcysteine O-methyltransferase	P32584	Saccharomyces cerevisiae S288c	Predicted (SEA)	28.8042
Click to view 3D structure	Lipoprotein lipase	P11152	Mus musculus	Predicted (SEA)	1978.85
Click to view 3D structure	SHV-5 extended spectrum beta-lactamase	Q6REX6	Escherichia coli	Predicted (SEA)	493.798
Click to view 3D structure	Snake venom metalloproteinase neuwiedase	Q9I9R4	Bothrops pauloensis	Predicted (SEA)	2236.22
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7759.08
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7764.76
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	7758.84
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	7217.48
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	206.456
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	6393.45
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	4133.72
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	187.461
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7764.14
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7778.69
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	7763.44
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	7774.57
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	7735.33
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	7740.08
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	7624.63
Click to view 3D structure	Cruzipain	P25779	Trypanosoma cruzi	Predicted (SEA)	7624.24
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	7143.91
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	7779.24
Click to view 3D structure	Transcription factor NF-E2 45 kDa subunit	Q16621	Humans	Predicted (SEA)	4230.33
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	7770.52