ContaminantDB: Chinomethionat

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:43:01 UTC

Update Date

2026-04-17 16:11:54 UTC

Accession Number

CHEM004379

Identification

Common Name

Chinomethionat

Class

Small Molecule

Description

A dithioloquinoxaline that results from the formal condensation of 6-methylquinoxaline-2,3-dithiol with phosgene. It has been used as a fungicide and acaricide for the control of mites and powdery mildew on citrus, vegetables, and walnuts, but is not approved for use in the EU.

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
My Exposome Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate	ChEBI
6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate	ChEBI
Chinomethionat	ChEBI
Chinomethionate	ChEBI
Morestan	ChEBI
Oxythioquinox	ChEBI
S,S-(6-Methylquinoxaline-2,3-diyl) dithiocarbonate	ChEBI
6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonic acid	Generator
6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonic acid	Generator
Chinomethionic acid	Generator
S,S-(6-Methylquinoxaline-2,3-diyl) dithiocarbonic acid	Generator
Quinomethionic acid	Generator
6-Methyl-2,3-quinoxalinedithiol cyclic carbonate	MeSH
Quinomethionate	MeSH, KEGG
6-Methyl-2-oxo-1,3-dithio(4,5-b)quinoxaline	MeSH

Chemical Formula

C₁₀H₆N₂OS₂

Average Molecular Mass

234.290 g/mol

Monoisotopic Mass

233.992 g/mol

CAS Registry Number

2439-01-2

IUPAC Name

6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one

Traditional Name

joust

SMILES

CC1=CC2=NC3=C(SC(=O)S3)N=C2C=C1

InChI Identifier

InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3

InChI Key

FBQQHUGEACOBDN-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Benzodiazines

Direct Parent

Quinoxalines

Alternative Parents

Substituents

Quinoxaline
Benzenoid
Pyrazine
Heteroaromatic compound
Dithiole
1,3-dithiole
Azacycle
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

quinoxaline acaricide (CHEBI:34620 )
quinoxaline antifungal agent (CHEBI:34620 )
dithioloquinoxaline (CHEBI:34620 )
Acaricides (C14514 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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

Property	Value	Source
Water Solubility	0.5 g/L	ALOGPS
logP	2.57	ALOGPS
logP	3.86	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Basic)	0.48	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	42.85 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	62.48 m³·mol⁻¹	ChemAxon
Polarizability	23.17 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0090000000-b0b58c4e467b3d6a8768	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0090000000-74df41242660bd101776	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0090000000-ea9484413b9d4cdde65d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-2049fcae9515674f0623	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-0900000000-8edd66f7ab34eb93a9ff	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00di-0900000000-1f497459bf4a8cce8119	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

34620

PubChem Compound ID

17109

Kegg Compound ID

C14514

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1009998

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=14505671

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=6658821

Chinomethionat (CHEM004379)

Structure for CHEM004379: Chinomethionat