2-(nitromethylidene)-1,3-thiazinane (CED0310094)

Record Information

Version

1.0

Creation Date

2026-09-01 08:11:26 UTC

Update Date

2026-09-01 08:11:26 UTC

Accession Number

CHEM355801

Identification

Common Name

2-(nitromethylidene)-1,3-thiazinane

Class

Small Molecule

Description

2-(nitromethylidene)-1,3-thiazinane is a chemical compound with the formula C5H8N2O2S. It has an average molecular weight of 160.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₈N₂O₂S

Average Molecular Mass

Not Available

Monoisotopic Mass

160.031 g/mol

CAS Registry Number

1346557-80-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1CNC(=C[N+](=O)[O-])SC1

InChI Identifier

InChI=1S/C5H8N2O2S/c8-7(9)4-5-6-2-1-3-10-5/h4,6H,1-3H2

InChI Key

LZTIMERBDGGAJD-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	splash10-03di-1900000000-328a9129190d79a949bf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-1900000000-9564e7d414bce74cfee2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0k9f-9000000000-4e102c3f34e5c9bf45a5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-0900000000-aade249fd139ce93711d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9800000000-b7d6a73e2009326bdd12	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-b5a635936b9262f260be	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
267.0	Log mg/kg	[150:470]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
679	Phosphatic Fertilisers	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	Acetylcholine receptor subunit beta-like 2	P25162	Drosophila melanogaster	Predicted (SEA)	13.4679
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	6434.24
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	143.865
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	85.9455
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	6953.73
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	6757.86
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	7027.22
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	7181.36
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	7575.82
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	93.8862
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	O70174	Mus musculus	Predicted (SEA)	548.993
Click to view 3D structure	Nicotinic acetylcholine receptor alpha 5 subunit	A9XFY4	Musca domestica	Predicted (SEA)	727.19
Click to view 3D structure	Transitional endoplasmic reticulum ATPase	P55072	Humans	Predicted (SEA)	4052.21
Click to view 3D structure	N-arachidonyl glycine receptor	Q14330	Humans	Predicted (SEA)	3569.31
Click to view 3D structure	Nicotinic acetylcholine receptor alpha8 subunit	H6TY12	Periplaneta americana	Predicted (SEA)	128.685
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	6791.33
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	4668.07
Click to view 3D structure	Glutathione reductase	P70619	Rattus norvegicus	Predicted (SEA)	15.3363
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	7558.15
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	7740.55
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P09482	Gallus gallus	Predicted (SEA)	989.931
Click to view 3D structure	Soluble acetylcholine receptor	Q8WSF8	Aplysia californica	Predicted (SEA)	2798.84
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	7661.3
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7752.77
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	7737.75