Chinomethionat

Details

• Internal ID: ee9deee5-d1b0-4b5f-8d43-8ef85073c4c8
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines
• IUPAC Name: 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
• InChI: 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
• Popularity: 293 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₆N₂OS₂
• Molecular Weight: 234.30 g/mol
• Exact Mass: 233.99215517 g/mol
• Topological Polar Surface Area (TPSA): 93.50 Ų
• XlogP: 3.10

Synonyms

• Chinomethionat
• Oxythioquinox
• QUINOMETHIONATE
• Morestan
• 2439-01-2
• Forstan
• Cetactaelate
• Morestane
• Morestan 2
• Daisonet XL 21
• Bayer 36205
• Joust
• Bayer 4964
• 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
• 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate
• Bayer ss2074
• 6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate
• BAY 36205
• 6-Methyl-2-oxo-1,3-dithio(4,5-b)quinoxaline
• SS 2074
• 6-Methyl-1,3-dithiolo(4,5-b)quinoxalin-2-one
• DTXSID2032342
• CHEBI:34620
• S,S-(6-methylquinoxaline-2,3-diyl) dithiocarbonate
• 888OQA249R
• ENT 25,606
• NSC-379587
• 1,3-Dithiolo(4,5-b)quinoxalin-2-one, 6-methyl-
• 6-Methyl-2,3-quinoxaline dithiocarbonate
• Carbonic acid, dithio-, cyclic S,S-ester with 6-methyl-2,3-quinoxalinedithiol
• DTXCID0012342
• BAYER-36205
• Dithiolo(4,5-b)quinoxalin-2-one, 6-methyl-
• 6-Methyl-quinoxaline-2,3-dithiolcyclocarbonate
• 6-Methyl-2,3-quinoxalinedithiol cyclic carbonate
• 6-Methyl-2-oxo-1,3-dithiolo(4,5-b)quinoxaline
• Carbonic acid, dithio-, cyclic S,S-(6-methyl-2,3-quinoxalinediyl) ester
• 1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl-
• Cyclic S,S-(6-methyl-2,3-quinoxalinediyl) dithiocarbonate
• 2,3-Quinoxalinedithiol, 6-methyl-, cyclic dithiocarbonate (ester)
• 6-Methyl-2-oxo-1,3-dithio[4,5-b]quinoxaline
• 6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one
• 6-Methyl-1,3-Dithiolo[4,5-b]quinoxalin-2-one
• 6-METHYL(1,3)DITHIOLO(4,5-B)QUINOXALIN-2-ONE
• 6-methyl-(1,3)dithiolo(4,5-b)quinoxalin-2-one
• RefChem:857855
• 219-455-3
• Chinomethionat [ISO]
• NSC 379587
• MQD
• Caswell No. 576
• Quinomethionate [BSI]
• quinomethionat
• Chinomethionate [ISO-French]
• HSDB 1740
• EINECS 219-455-3
• QUINOMETHIOLATE
• EPA Pesticide Chemical Code 054101
• BRN 0526833
• 6-Methyldithiolo(4,5-b)quinoxalin-2-one
• AI3-25606
• CHINOMETHIONAT(E)
• OXYTHIOQUINOX [MI]
• SCHEMBL21205
• CHINOMETHIONAT [HSDB]
• BIDD:ER0431
• UNII-888OQA249R
• 6-Methyl-chinoxalin-2,3-dithiol-cyclo-carbonat [German]
• CHEMBL1595865
• SCHEMBL29358969
• FBQQHUGEACOBDN-UHFFFAOYSA-
• Tox21_303968
• ENT 25606
• NSC379587
• AKOS015897461
• NCGC00166177-01
• NCGC00357013-01
• AC-23998
• NCI60_003583
• CAS-2439-01-2
• Chinomethionat 10 microg/mL in Cyclohexane
• Chinomethionat 100 microg/mL in Cyclohexane
• NS00001548
• 6-Methyl-chinoxalin-2,3-dithiol-cyclo-carbonat
• 439C012
• 7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
• A817262
• Chinomethionate, PESTANAL(R), analytical standard
• Q1074415
• InChI=1/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.38%	95.56%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	94.19%	85.30%
CHEMBL3714130	P46095	G-protein coupled receptor 6	93.20%	97.36%
CHEMBL2581	P07339	Cathepsin D	92.61%	98.95%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	91.63%	81.11%
CHEMBL2039	P27338	Monoamine oxidase B	89.94%	92.51%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.06%	94.00%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	89.06%	87.67%
CHEMBL3401	O75469	Pregnane X receptor	88.91%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.81%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.11%	96.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.58%	85.14%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	83.80%	93.65%
CHEMBL1951	P21397	Monoamine oxidase A	80.96%	91.49%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.57%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.15%	99.23%

Plants that contains it

• Hedychium yunnanense

Cross-Links

• PubChem: 17109
• NPASS: NPC88121
• ChEMBL: CHEMBL1595865