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

• ChemBase ID: 158200
• Molecular Formular: C10H6N2OS2
• Molecular Mass: 234.29744
• Monoisotopic Mass: 233.99215482
• SMILES: Cc1ccc2c(c1)nc1c(n2)sc(=O)s1
• Canonical SMILES: Cc1ccc2c(c1)nc1c(n2)sc(=O)s1
• 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
• InChIKey: FBQQHUGEACOBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one
• IUPAC Traditional name: joust
• Synonyms: Oxythioquinox; Chinomethionate; 灭螨猛; 甲基克杀螨

Database IDs

• CAS Number: 2439-01-2
• EC Number: 219-455-3
• MDL Number: MFCD00055387
• Beilstein Number: 526833
• PubChem SID: 24868847; 162252336
• PubChem CID: 17109

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8617845
• LogD (pH = 7.4): 3.8617885
• Log P: 3.8617885
• Molar Refractivity: 62.4808 cm^3
• Polarizability: 25.181747 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: FG1400000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-36-43-48/22-50/53-62
• Safety Statements: 24-37-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H317-H319-H332-H361f-H373-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H6N2OS2

DETAILS

Sigma Aldrich - 45372

Legal Information
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