Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1)

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Names

[ CAS No. ]:
88973-10-8

[ Name ]:
Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1)

[Synonym ]:
1-methyl-2-<2-methylthio-2-(1-piperidino)vinyl>-quinolinium iodide
1-Methyl-2-(2-(methylthio)-2-(1-piperidinyl)ethynyl)quinolinium iodide
1-methyl-2-(2-(methylthio)-2-piperidinovinyl)quinolinium

Chemical & Physical Properties

[ Density]:
1.153g/cm3

[ Boiling Point ]:
466.2ºC at 760 mmHg

[ Molecular Formula ]:
C18H23IN2S

[ Molecular Weight ]:
426.35800

[ Flash Point ]:
235.8ºC

[ Exact Mass ]:
426.06300

[ PSA ]:
32.42000

[ LogP ]:
0.75350

[ Index of Refraction ]:
1.644

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VC3961860
CHEMICAL NAME :
Quinolinium, 1-methyl-2-(2-(methylthio)-2-(1-piperidinyl)ethenyl)- , iodide
CAS REGISTRY NUMBER :
88973-10-8
LAST UPDATED :
198706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-N2-S.I
MOLECULAR WEIGHT :
426.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 30,57,1987

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Piperidine
  • 2-bis(2-methylthio)vinyl-1-methylquinolinium

DownStream

Related Compounds

  • 4-Fluoro-3-methoxy-alpha-(trifluoromethyl)benzyl Alcohol
  • Tert-butyl 2,2-dimethylbutanoate
  • Tetrahydro-1,3,4,6-tetrakis(methoxymethyl)-3a-methyl-6a-phenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
  • 5-(1,1,2,2,2-Pentafluoroethyl)pyridin-3-ol
  • 3-(3-Bromopropyl)-4,6-dimethoxy-2(3h)-benzoxazolone
  • 4'-[4-(Trifluoromethoxy)phenyl]acetophenone
  • p-Hydroxybenzyltriphenylphosphonium bromide
  • 3-(5-Fluoro-2-nitrophenyl)pyridine
  • Ethyl 4-[[[(2-cyano-1-aziridinyl)carbonyl]amino]carbonyl]benzoate
  • 1-Chloro-3-(2,4-dichlorophenoxy)propan-2-one
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