2-(furan-2-ylmethylsulfanyl)pyrazine (CED0227784)

Record Information

Version

1.0

Creation Date

2026-08-25 21:57:13 UTC

Update Date

2026-08-25 21:57:13 UTC

SynCED ID

CED0227784

Secondary Accession Numbers

CHEM271004

Identification

Common Name

2-(furan-2-ylmethylsulfanyl)pyrazine

Class

Small Molecule

Description

2-(furan-2-ylmethylsulfanyl)pyrazine belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C9H8N2OS and an average molecular weight of 192.24 g/mol. This compound is further classified as an organosulfur compound.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₈N₂OS

Average Molecular Mass

192.240 g/mol

Monoisotopic Mass

192.036 g/mol

CAS Registry Number

164352-93-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H8N2OS/c1-2-8(12-5-1)7-13-9-6-10-3-4-11-9/h1-6H,7H2

InChI Key

VICVSKQFQDAHAD-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
849.0 Log mg/kg [480:1500]	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
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	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	Piezo-type mechanosensitive ion channel component 1	Q92508	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.315 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.288 Low confidence Statistical Significance 0.3395 Supporting Reference Compounds 1538 E-value 2643.37
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.288 Low confidence Statistical Significance 0.1724 Supporting Reference Compounds 825 E-value 1341.89
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.288 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 68 E-value 28.0257
Click to view 3D structure	Cytochrome P450 2E1	P05181	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.288 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 31 E-value 12.0666
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.305 Statistical Significance 0.051 Supporting Reference Compounds 343 E-value 397.187
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.305 Statistical Significance 0.008 Supporting Reference Compounds 108 E-value 62.5129
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.288 Low confidence Statistical Significance 0.3494 Supporting Reference Compounds 1245 E-value 2719.9
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.288 Low confidence Statistical Significance 0.0195 Supporting Reference Compounds 150 E-value 151.884
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.288 Low confidence Statistical Significance 0.3198 Supporting Reference Compounds 793 E-value 2489.7
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.288 Low confidence Statistical Significance 0.4308 Supporting Reference Compounds 1130 E-value 3353.82
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.269 Low confidence Statistical Significance 0.0466 Supporting Reference Compounds 130 E-value 362.855
Click to view 3D structure	Carboxylesterase/lipase Culp6	O53581	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.4928
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.288 Low confidence Statistical Significance 0.2063 Supporting Reference Compounds 305 E-value 1605.8
Click to view 3D structure	Piezo-type mechanosensitive ion channel component 1	E2JF22	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.315 Statistical Significance 3.50e-04 Supporting Reference Compounds 2 E-value 2.72472
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.246 Low confidence Statistical Significance 0.6685 Supporting Reference Compounds 1274 E-value 5204.22
Click to view 3D structure	Dual specificity protein phosphatase 6	Q64346	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.269 Low confidence Statistical Significance 0.0222 Supporting Reference Compounds 53 E-value 172.903
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.246 Low confidence Statistical Significance 0.6186 Supporting Reference Compounds 714 E-value 4816.14
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.246 Low confidence Statistical Significance 0.6756 Supporting Reference Compounds 1017 E-value 5259.34
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.246 Low confidence Statistical Significance 0.6156 Supporting Reference Compounds 742 E-value 4792.09
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.246 Low confidence Statistical Significance 0.5809 Supporting Reference Compounds 637 E-value 4522.26
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase 20	Q9NYL2	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.246 Low confidence Statistical Significance 0.5511 Supporting Reference Compounds 521 E-value 4290.11
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 5	Q9Y4K4	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.246 Low confidence Statistical Significance 0.562 Supporting Reference Compounds 557 E-value 4375.36
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.246 Low confidence Statistical Significance 0.2222 Supporting Reference Compounds 187 E-value 1729.5
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.26 Low confidence Statistical Significance 0.1977 Supporting Reference Compounds 174 E-value 1538.77