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5-Methylisatin

5-Methylisatin structure

5-Methylisatin 

structure
  • CAS No:

    608-05-9

  • Formula:

    C9H7NO2

  • Chemical Name:

    5-Methylisatin

  • Synonyms:

    1H-Indole-2,3-dione,5-methyl-;Indole-2,3-dione,5-methyl-;Isatin,5-methyl-;5-Methyl-1H-indole-2,3-dione;5-Methylisatin;5-Methylindole-2,3-dione;5-Methyl-2,3-indolinedione;NSC 9398;5-Methyl-2,3-dihydro-2,3-dioxoindole;1456796-43-2

  • Categories:

    Biochemical Engineering  >  Biochemical Reagents

Description

Red to brown powder or crystals

5-Methylisatin Basic Attributes

161.16

161.16

123738

210-152-1

AK8XAB7PS8

9398

DTXSID00209637

2933990090

Characteristics

46.2

1.2

orange crystalline

1.3±0.1 g/cm3

195-200 °C (decomp)

1.598

methanol: soluble 25mg/mL, clear to slightly hazy, orange to red

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

22-24/25-36-26

NL7939300

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-methylisatin

5-Methylisatin Use and Manufacturing

Reactant for preparation of:• ;Antimycobacterial agents1• ;Promoters of central nervous system (CNS) depression in mice2• ;Inhibitors of TAK1 kinase3• ;Anti-human immunodeficiency virus (HIV) agent4• ;Potent herpes simplex virus (HSV) inhibitors5• ;Antimicrobial agents6• ;IKKβ inhibitors7• ;Potential drug to combat human immunodeficiency virus-tuberculosis (HIV-TB) coinfection8• ;Cyclooxygenase 1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) inhibitors9• ;Antibacterial and anticancer agents

Computed Properties

Molecular Weight:161.16
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:46.2
Heavy Atom Count:12
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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