54649-03-5

54649-03-5 structure

54649-03-5 structure

Name: 4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Chemical Name: 4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
CAS Number: 54649-03-5
Molecular Formula: C₁₈H₁₅ClN₄S
Molecular Weight: 354.85700
Create Date: 2017-06-25 13:32:54
Modify Date: 2024-01-16 10:52:45

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

Density	1.41g/cm3
Boiling Point	548.8ºC at 760 mmHg
Molecular Formula	C₁₈H₁₅ClN₄S
Molecular Weight	354.85700
Flash Point	285.7ºC
Exact Mass	354.07100
PSA	85.30000
LogP	4.58990
Index of Refraction	1.732

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5359050

CHEMICAL NAME :: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-chlorophenyl)-5-((2-methyl-1H-indol- 3-yl) methyl)-

CAS REGISTRY NUMBER :: 54649-03-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H15-Cl-N4-S

MOLECULAR WEIGHT :: 354.88

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 :: 500 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

54648-93-0 structure

54648-93-0

~84%

54649-03-5 structure

54649-03-5

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

21909-51-3 structure

21909-51-3

~%

54649-03-5 structure

54649-03-5

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

2131-55-7 structure

2131-55-7

~%

54649-03-5 structure

54649-03-5

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

21909-49-9 structure

21909-49-9

~%

54649-03-5 structure

54649-03-5

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266

59-88-1 structure

59-88-1

~%

54649-03-5 structure

54649-03-5

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266

123-76-2 structure

123-76-2

~%

54649-03-5 structure

54649-03-5

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266