5-ethylsulfanyl-2h-tetrazole (CED0164706)

Record Information

Version

1.0

Creation Date

2026-08-22 13:27:14 UTC

Update Date

2026-08-22 13:27:14 UTC

Accession Number

CHEM215738

Identification

Common Name

5-ethylsulfanyl-2h-tetrazole

Class

Small Molecule

Description

5-ethylsulfanyl-2h-tetrazole is an organic compound with the formula C3H6N4S and an average molecular weight of 130.17 g/mol. 5-ethylsulfanyl-2h-tetrazole belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This substance has been identified in or released from one recorded source, which is food, food processing and cookware, specifically processing meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₆N₄S

Average Molecular Mass

130.170 g/mol

Monoisotopic Mass

130.031 g/mol

CAS Registry Number

89797-68-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)

InChI Key

GONFBOIJNUKKST-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 GC-MS	Predicted GC-MS Spectrum	splash10-0fb9-9400000000-bff64aa0a7987f1fc7b5	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-795355d29776dccba2b5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-5900000000-333db3c3e60b3302bc31	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-273dad3ddede07e56391	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1900000000-fe7b3f41e44924ecbea2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-9000000000-57636c608b950877d61f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-97b6ea45edab2a9bbfa0	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	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
231.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
552	Processing Meats	Food, food processing & cookware	Not Available
601	Lawn Mowers	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	Tyrosine-protein kinase Fyn	P39688	Mus musculus	Predicted (SEA)	11.5995
Click to view 3D structure	Type-1 angiotensin II receptor B	P29089	Rattus norvegicus	Predicted (SEA)	884.834
Click to view 3D structure	Type-1 angiotensin II receptor	P34976	Oryctolagus cuniculus	Predicted (SEA)	943.844
Click to view 3D structure	Type-1 angiotensin II receptor	P25104	Bos taurus	Predicted (SEA)	608.08
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	4658.11
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7468.93
Click to view 3D structure	Type-2 angiotensin II receptor	P35351	Rattus norvegicus	Predicted (SEA)	1835.76
Click to view 3D structure	Type-1 angiotensin II receptor A	P25095	Rattus norvegicus	Predicted (SEA)	1832.88
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	7367.03
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7627.82
Click to view 3D structure	Type-2 angiotensin II receptor	P50052	Humans	Predicted (SEA)	3386.13
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	7706.53
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6986.66
Click to view 3D structure	Ephrin type-A receptor 4	Q03137	Mus musculus	Predicted (SEA)	1878.42
Click to view 3D structure	dTDP-4-dehydrorhamnose 3,5-epimerase	P9WH10	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)	Predicted (SEA)	388.156
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7419.11
Click to view 3D structure	Angiotensinogen	P01015	Rattus norvegicus	Predicted (SEA)	1105.15
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	7404.32
Click to view 3D structure	G-protein coupled receptor 83	P30731	Mus musculus	Predicted (SEA)	187.383
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7420.2
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	7673.99
Click to view 3D structure	Class I phosphodiesterase PDEB1	Q6S996	Leishmania major	Predicted (SEA)	1574.34
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	6887.87
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7762.66
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7736.27