(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride

Modify Date: 2025-10-04 17:45:20

(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride Structure
(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride structure
 Common Name (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride
CAS Number 25561-58-4 Molecular Weight 375.91500
Density N/A Boiling Point 508.3ºC at 760mmHg
Molecular Formula C19H22ClN3OS Melting Point N/A
MSDS N/A Flash Point 261.2ºC

 Names

Name (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride

 Chemical & Physical Properties

Boiling Point 508.3ºC at 760mmHg
Molecular Formula C19H22ClN3OS
Molecular Weight 375.91500
Flash Point 261.2ºC
Exact Mass 375.11700
PSA 61.21000
LogP 3.93150
Vapour Pressure 1.87E-10mmHg at 25°C
InChIKey BUPQBSAGPFCVDN-QMGGKDRNSA-N
SMILES C[NH+]1CCN(N=CC(=O)c2ccc(Sc3ccccc3)cc2)CC1.[Cl-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM9482000
CHEMICAL NAME :
Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride
CAS REGISTRY NUMBER :
25561-58-4
LAST UPDATED :
199107
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H21-N3-O-S.Cl-H
MOLECULAR WEIGHT :
375.95
WISWESSER LINE NOTATION :
T6N DNTJ ANU1VR DSR&& D1 &GH

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 :
350 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: 13,157,1970
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Chemsrc provides CAS#:25561-58-4 MSDS, density, melting point, boiling point, structure, etc. Its name is (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride>> amp version: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride

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