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

Modify Date: 2025-09-12 19:11:28

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
InChIKey DHDXMCCDFWQKGM-UHFFFAOYSA-N
SMILES COc1ccc(-n2c(Cc3c(C)[nH]c4ccccc34)n[nH]c2=S)cc1

 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

~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

~%

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-(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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