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

Modify Date: 2025-09-21 18:15:39

Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1) Structure
Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1) structure
Common Name Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1)
CAS Number 88973-10-8 Molecular Weight 426.35800
Density 1.153g/cm3 Boiling Point 466.2ºC at 760 mmHg
Molecular Formula C18H23IN2S Melting Point N/A
MSDS N/A Flash Point 235.8ºC

 Names

Name 1-methyl-2-(2-methylsulfanyl-2-piperidin-1-ylethenyl)quinolin-1-ium
Synonym More Synonyms

 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
InChIKey GDAYFNYXYZQOQL-UHFFFAOYSA-M
SMILES CSC(=Cc1ccc2ccccc2[n+]1C)N1CCCCC1.[I-]

 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

~90%

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

Quinolinium,1-m...

CAS#:88973-10-8

Literature: Foye; Kim; Kauffman Journal of Pharmaceutical Sciences, 1983 , vol. 72, # 11 p. 1356 - 1358

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

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
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