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

Modify Date: 2025-09-30 19:30:51

3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione structure	Common Name	3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
	CAS Number	54649-00-2	Molecular Weight	334.43800
	Density	1.3g/cm3	Boiling Point	536ºC at 760 mmHg
	Molecular Formula	C₁₉H₁₈N₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	278ºC

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

Density	1.3g/cm3
Boiling Point	536ºC at 760 mmHg
Molecular Formula	C₁₉H₁₈N₄S
Molecular Weight	334.43800
Flash Point	278ºC
Exact Mass	334.12500
PSA	85.30000
LogP	4.24490
Index of Refraction	1.708
InChIKey	ZCAJLBFGHSOZMW-UHFFFAOYSA-N
SMILES	Cc1ccc(-n2c(Cc3c(C)[nH]c4ccccc34)n[nH]c2=S)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5359150

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

CAS REGISTRY NUMBER :: 54649-00-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H18-N4-S

MOLECULAR WEIGHT :: 334.47

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 :: 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

HS Code	2933990090

1-[[2-(2-methyl...

CAS#:54648-92-9

~73%

3-[(2-methyl-1H...

CAS#:54649-00-2

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

(2-methyl-indol...

CAS#:21909-51-3

3-[(2-methyl-1H...

CAS#:54649-00-2

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

4-Methylphenyl ...

CAS#:622-59-3

3-[(2-methyl-1H...

CAS#:54649-00-2

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

1H-Indole-3-ace...

CAS#:21909-49-9

3-[(2-methyl-1H...

CAS#:54649-00-2

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

3-[(2-methyl-1H...

CAS#:54649-00-2

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

3-[(2-methyl-1H...

CAS#:54649-00-2

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

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Customs

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.