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

Modify Date: 2025-11-06 18:01:45

4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione structure	Common 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 Weight	354.85700
	Density	1.41g/cm3	Boiling Point	548.8ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₅ClN₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	285.7ºC

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
InChIKey	XOHFMCKIJZUIMV-UHFFFAOYSA-N
SMILES	Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1

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

1-(4-chlorophen...

CAS#:54648-93-0

~84%

4-(4-chlorophen...

CAS#:54649-03-5

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

(2-methyl-indol...

CAS#:21909-51-3

4-(4-chlorophen...

CAS#:54649-03-5

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

4-chlorophenyl ...

CAS#:2131-55-7

4-(4-chlorophen...

CAS#:54649-03-5

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

1H-Indole-3-ace...

CAS#:21909-49-9

4-(4-chlorophen...

CAS#: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

Phenylhydrazine...

CAS#:59-88-1

4-(4-chlorophen...

CAS#: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

Levulinic acid

CAS#:123-76-2

4-(4-chlorophen...

CAS#: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

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.