4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

Modify Date: 2024-01-11 13:38:23

4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione Structure
4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione structure
 Common Name 4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
CAS Number 54649-02-4 Molecular Weight 350.43700
Density 1.33g/cm3 Boiling Point 556.7ºC at 760 mmHg
Molecular Formula C19H18N4OS Melting Point N/A
MSDS N/A Flash Point 290.5ºC

 Names

Name 4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

 Chemical & Physical Properties

Density 1.33g/cm3
Boiling Point 556.7ºC at 760 mmHg
Molecular Formula C19H18N4OS
Molecular Weight 350.43700
Flash Point 290.5ºC
Exact Mass 350.12000
PSA 94.53000
LogP 3.94510
Index of Refraction 1.698

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359120
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-methoxyphenyl)-5-((2-methyl-1H-indol -3-yl) methyl)-
CAS REGISTRY NUMBER :
54649-02-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-N4-O-S
MOLECULAR WEIGHT :
350.47

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 :
450 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CNJPAZ Canadian Journal of Pharmaceutical Sciences. (Toronto, Ont., Canada) V.1-16, 1966-81. Discontinued. Volume(issue)/page/year: 9,108,1974

 Synthetic Route

1-(4-methoxyphenyl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea structure

1-(4-methoxyphe...

CAS#:54686-44-1

~75%

4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione Structure

4-(4-methoxyphe...

CAS#:54649-02-4

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
(2-methyl-indol-3-yl)-acetic acid hydrazide structure

(2-methyl-indol...

CAS#:21909-51-3

~%

4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione Structure

4-(4-methoxyphe...

CAS#:54649-02-4

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
4-methoxyphenylisothiocyanate structure

4-methoxyphenyl...

CAS#:2284-20-0

~%

4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione Structure

4-(4-methoxyphe...

CAS#:54649-02-4

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
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Chemsrc provides CAS#:54649-02-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione>> amp version: 4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

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