1-Propanone, 1-(4-methyl-2-(methylthio)-5-thiazolyl)-3-(4-(2-pyridinyl)-1-piperazinyl)-, dihydrochloride

Modify Date: 2025-10-13 06:11:24

1-Propanone, 1-(4-methyl-2-(methylthio)-5-thiazolyl)-3-(4-(2-pyridinyl)-1-piperazinyl)-, dihydrochloride Structure
1-Propanone, 1-(4-methyl-2-(methylthio)-5-thiazolyl)-3-(4-(2-pyridinyl)-1-piperazinyl)-, dihydrochloride structure
Common Name 1-Propanone, 1-(4-methyl-2-(methylthio)-5-thiazolyl)-3-(4-(2-pyridinyl)-1-piperazinyl)-, dihydrochloride
CAS Number 75449-08-0 Molecular Weight 398.97400
Density 1.3g/cm3 Boiling Point 568.5ºC at 760 mmHg
Molecular Formula C17H23ClN4OS2 Melting Point N/A
MSDS N/A Flash Point 297.6ºC

 Names

Name 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 568.5ºC at 760 mmHg
Molecular Formula C17H23ClN4OS2
Molecular Weight 398.97400
Flash Point 297.6ºC
Exact Mass 398.10000
PSA 102.87000
LogP 3.76830
Index of Refraction 1.646
InChIKey LHJYXTUZJFKOLD-UHFFFAOYSA-N
SMILES CSc1nc(C)c(C(=O)CCN2CCN(c3ccccn3)CC2)s1.Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC3081300
CHEMICAL NAME :
1-Propanone, 1-(4-methyl-2-(methylthio)-5-thiazolyl)-3-(4-(2-pyrid inyl)-1-piperazinyl)-, dihydrochloride
CAS REGISTRY NUMBER :
75449-08-0
LAST UPDATED :
198712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H22-N4-O-S2.2Cl-H
MOLECULAR WEIGHT :
435.47

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 :
250 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay)
REFERENCE :
APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 36,545,1979

 Synonyms

1-(4-Methyl-2-(methylthio)-1,3-thiazol-5-yl)-3-(4-(2-pyridinyl)-1-piperazinyl)-1-propanone
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